CID 21577367

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

Structural Information

Molecular Formula
C30H52
SMILES
CC1=CC(C(CC1)C(=C)C)C(C)(CCCC(C)C=C)CC/C=C(\C)/CCCC(C)C
InChI
InChI=1S/C30H52/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/h10,17,22-23,25,28-29H,1,4,11-16,18-21H2,2-3,5-9H3/b26-17+
InChIKey
PLCJWBGFRGRJFS-YZSQISJMSA-N
Compound name
1-methyl-4-prop-1-en-2-yl-3-[(10E)-3,7,11,15-tetramethylhexadeca-1,10-dien-7-yl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.4069 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.41418 213.1
[M+Na]+ 435.39612 212.1
[M-H]- 411.39962 213.4
[M+NH4]+ 430.44072 224.0
[M+K]+ 451.37006 206.1
[M+H-H2O]+ 395.40416 206.1
[M+HCOO]- 457.40510 222.9
[M+CH3COO]- 471.42075 237.7
[M+Na-2H]- 433.38157 203.3
[M]+ 412.40635 213.6
[M]- 412.40745 213.6
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.