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

4
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

literature stripe

Patent stripe

patents stripe