CID 156961746

12-hydroxydodecanoylcarnitine

Structural Information

Molecular Formula
C19H38NO5
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCCCCCCCO
InChI
InChI=1S/C19H37NO5/c1-20(2,3)16-17(15-18(22)23)25-19(24)13-11-9-7-5-4-6-8-10-12-14-21/h17,21H,4-16H2,1-3H3/p+1
InChIKey
FGDJUUIZTJUXIW-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(12-hydroxydodecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.275 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28228 192.5
[M+Na]+ 383.26422 208.9
[M-H]- 359.26772 198.9
[M+NH4]+ 378.30882 204.1
[M+K]+ 399.23816 186.1
[M+H-H2O]+ 343.27226 188.7
[M+HCOO]- 405.27320 212.3
[M+CH3COO]- 419.28885 211.2
[M+Na-2H]- 381.24967 192.7
[M]+ 360.27445 200.5
[M]- 360.27555 200.5
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

No patent data available for this compound.