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]+ 413.414176 213.1
[M+Na]+ 435.396118 212.1
[M-H]- 411.399624 213.4
[M+NH4]+ 430.440723 224.0
[M+K]+ 451.370058 206.1
[M+H-H2O]+ 395.404160 206.1
[M+HCOO]- 457.405101 222.9
[M+CH3COO]- 471.420751 237.7
[M+Na-2H]- 433.381566 203.3
[M]+ 412.40635142 213.6
[M]- 412.40744858 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.