CID 10408

502-69-2

Structural Information

Molecular Formula
C18H36O
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(=O)C
InChI
InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
InChIKey
WHWDWIHXSPCOKZ-UHFFFAOYSA-N
Compound name
6,10,14-trimethylpentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

5021
Patents

268.2766 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.28388 174.1
[M+Na]+ 291.26582 181.5
[M+NH4]+ 286.31042 180.2
[M+K]+ 307.23976 175.4
[M-H]- 267.26932 172.7
[M+Na-2H]- 289.25127 174.1
[M]+ 268.27605 174.5
[M]- 268.27715 174.5
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