CID 71464483

(5z,8z)-3-hydroxytetradecadienoylcarnitine

Structural Information

Molecular Formula
C21H38NO5
SMILES
CCCCC/C=C\C/C=C\CC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C21H37NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3/p+1/b10-9-,13-12-
InChIKey
LVNITLZCNUEXQK-UTJQPWESSA-O
Compound name
[3-carboxy-2-[(5Z,8Z)-3-hydroxytetradeca-5,8-dienoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28228 203.3
[M+Na]+ 407.26422 211.5
[M-H]- 383.26772 202.6
[M+NH4]+ 402.30882 207.6
[M+K]+ 423.23816 205.5
[M+H-H2O]+ 367.27226 194.7
[M+HCOO]- 429.27320 212.1
[M+CH3COO]- 443.28885 214.5
[M+Na-2H]- 405.24967 194.7
[M]+ 384.27445 201.3
[M]- 384.27555 201.3
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.