CID 5312901

2-oxo-heptadecanoic acid

Structural Information

Molecular Formula
C17H32O3
SMILES
CCCCCCCCCCCCCCCC(=O)C(=O)O
InChI
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h2-15H2,1H3,(H,19,20)
InChIKey
QPDMNFFZLIUVIV-UHFFFAOYSA-N
Compound name
2-oxoheptadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

284.23514 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.24242 176.6
[M+Na]+ 307.22436 178.9
[M-H]- 283.22786 173.6
[M+NH4]+ 302.26896 191.7
[M+K]+ 323.19830 176.0
[M+H-H2O]+ 267.23240 170.2
[M+HCOO]- 329.23334 194.4
[M+CH3COO]- 343.24899 203.4
[M+Na-2H]- 305.20981 174.8
[M]+ 284.23459 181.8
[M]- 284.23569 181.8
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