CID 71464580

(9z)-3-hydroxydodecenoylcarnitine

Structural Information

Molecular Formula
C19H36NO5
SMILES
CC/C=C\CCCCCC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C19H35NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h6-7,16-17,21H,5,8-15H2,1-4H3/p+1/b7-6-
InChIKey
PKPXVGIKUXUYEF-SREVYHEPSA-O
Compound name
[3-carboxy-2-[(Z)-3-hydroxydodec-9-enoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.25934 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26662 190.6
[M+Na]+ 381.24856 206.3
[M-H]- 357.25206 197.5
[M+NH4]+ 376.29316 202.3
[M+K]+ 397.22250 184.4
[M+H-H2O]+ 341.25660 187.2
[M+HCOO]- 403.25754 207.1
[M+CH3COO]- 417.27319 210.3
[M+Na-2H]- 379.23401 189.7
[M]+ 358.25879 196.7
[M]- 358.25989 196.7
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.