CID 57465470

Cis-14-hydroxy-10,13-dioxo-7-heptadecenoic acid

Structural Information

Molecular Formula
C17H28O5
SMILES
CCCC(C(=O)CCC(=O)C/C=C\CCCCCC(=O)O)O
InChI
InChI=1S/C17H28O5/c1-2-9-15(19)16(20)13-12-14(18)10-7-5-3-4-6-8-11-17(21)22/h5,7,15,19H,2-4,6,8-13H2,1H3,(H,21,22)/b7-5-
InChIKey
QGFDIKLPPWSQIY-ALCCZGGFSA-N
Compound name
(Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.19366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20094 179.5
[M+Na]+ 335.18288 181.4
[M-H]- 311.18638 175.2
[M+NH4]+ 330.22748 192.2
[M+K]+ 351.15682 178.6
[M+H-H2O]+ 295.19092 173.3
[M+HCOO]- 357.19186 194.7
[M+CH3COO]- 371.20751 204.2
[M+Na-2H]- 333.16833 174.9
[M]+ 312.19311 182.9
[M]- 312.19421 182.9
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

No patent data available for this compound.