CID 112044

10464-96-7

Structural Information

Molecular Formula
C30H38O
SMILES
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC#CC=C(C)C=CC=C(C)C=O)C)C
InChI
InChI=1S/C30H38O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h10-11,13-18,20-21,23H,12,19,22H2,1-7H3
InChIKey
JVRGDLGGLNQQDB-UHFFFAOYSA-N
Compound name
2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,10,12,14,16-heptaen-8-ynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.29227 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.299546 208.8
[M+Na]+ 437.281488 214.1
[M-H]- 413.284994 209.1
[M+NH4]+ 432.326093 220.3
[M+K]+ 453.255428 203.0
[M+H-H2O]+ 397.289530 197.2
[M+HCOO]- 459.290471 217.1
[M+CH3COO]- 473.306121 231.1
[M+Na-2H]- 435.266936 199.7
[M]+ 414.29172142 201.5
[M]- 414.29281858 201.5
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

patents stripe