CID 23286475

6,10,14-trimethyl-2-methylenepentadecanal

Structural Information

Molecular Formula
C19H36O
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O
InChI
InChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3
InChIKey
PTFJEDBJXCZCDO-UHFFFAOYSA-N
Compound name
6,10,14-trimethyl-2-methylidenepentadecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

280.2766 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 179.4
[M+Na]+ 303.26582 181.1
[M-H]- 279.26932 177.7
[M+NH4]+ 298.31042 195.4
[M+K]+ 319.23976 178.5
[M+H-H2O]+ 263.27386 173.2
[M+HCOO]- 325.27480 195.6
[M+CH3COO]- 339.29045 209.8
[M+Na-2H]- 301.25127 174.6
[M]+ 280.27605 183.1
[M]- 280.27715 183.1
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.