CID 53481641

2-hydroxylauroylcarnitine

Structural Information

Molecular Formula
C19H38NO5
SMILES
CCCCCCCCCCC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3/p+1
InChIKey
PBBJEGGNZPXIGJ-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(2-hydroxydodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

360.275 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28228 192.1
[M+Na]+ 383.26422 208.2
[M-H]- 359.26772 199.2
[M+NH4]+ 378.30882 204.5
[M+K]+ 399.23816 186.1
[M+H-H2O]+ 343.27226 188.5
[M+HCOO]- 405.27320 208.8
[M+CH3COO]- 419.28885 212.0
[M+Na-2H]- 381.24967 191.1
[M]+ 360.27445 199.5
[M]- 360.27555 199.5
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

patents stripe