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]+ 283.29955 181.0
[M+Na]+ 305.28149 182.8
[M-H]- 281.28499 179.1
[M+NH4]+ 300.32609 197.1
[M+K]+ 321.25543 179.9
[M+H-H2O]+ 265.28953 174.4
[M+HCOO]- 327.29047 199.0
[M+CH3COO]- 341.30612 209.1
[M+Na-2H]- 303.26694 178.6
[M]+ 282.29172 186.7
[M]- 282.29282 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.