CID 42597636

14s-methyloctadecan-2-one

Structural Information

Molecular Formula
C19H38O
SMILES
CCCC[C@H](C)CCCCCCCCCCCC(=O)C
InChI
InChI=1S/C19H38O/c1-4-5-15-18(2)16-13-11-9-7-6-8-10-12-14-17-19(3)20/h18H,4-17H2,1-3H3/t18-/m0/s1
InChIKey
FUVQABBYCOUMQQ-SFHVURJKSA-N
Compound name
(14S)-14-methyloctadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

282.29227 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.299546 181.0
[M+Na]+ 305.281488 182.8
[M-H]- 281.284994 179.1
[M+NH4]+ 300.326093 197.1
[M+K]+ 321.255428 179.9
[M+H-H2O]+ 265.289530 174.4
[M+HCOO]- 327.290471 199.0
[M+CH3COO]- 341.306121 209.1
[M+Na-2H]- 303.266936 178.6
[M]+ 282.29172142 186.7
[M]- 282.29281858 186.7
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.