CID 21578706

1-methyl-4-(prop-1-en-2-yl)-3-(3,7,11,15-tetramethyl-hexadeca-1,10e,14-trien-7-yl)-cyclohex-1-ene

Structural Information

Molecular Formula
C30H50
SMILES
CC1=CC(C(CC1)C(=C)C)C(C)(CCCC(C)C=C)CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C30H50/c1-10-25(6)16-12-20-30(9,21-13-17-26(7)15-11-14-23(2)3)29-22-27(8)18-19-28(29)24(4)5/h10,14,17,22,25,28-29H,1,4,11-13,15-16,18-21H2,2-3,5-9H3/b26-17+
InChIKey
ZJVXDMICLAHVAH-YZSQISJMSA-N
Compound name
1-methyl-4-prop-1-en-2-yl-3-[(10E)-3,7,11,15-tetramethylhexadeca-1,10,14-trien-7-yl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.398546 211.3
[M+Na]+ 433.380488 210.7
[M-H]- 409.383994 211.7
[M+NH4]+ 428.425093 222.3
[M+K]+ 449.354428 204.1
[M+H-H2O]+ 393.388530 204.4
[M+HCOO]- 455.389471 221.3
[M+CH3COO]- 469.405121 236.2
[M+Na-2H]- 431.365936 201.6
[M]+ 410.39072142 211.0
[M]- 410.39181858 211.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.