CID 156961637

6-hydroxyundecanoylcarnitine

Structural Information

Molecular Formula
C18H36NO5
SMILES
CCCCCC(CCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C18H35NO5/c1-5-6-7-10-15(20)11-8-9-12-18(23)24-16(13-17(21)22)14-19(2,3)4/h15-16,20H,5-14H2,1-4H3/p+1
InChIKey
QHCNHFQEYOMYQW-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(6-hydroxyundecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.25934 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26662 187.4
[M+Na]+ 369.24856 188.3
[M-H]- 345.25206 195.8
[M+NH4]+ 364.29316 200.8
[M+K]+ 385.22250 182.1
[M+H-H2O]+ 329.25660 184.1
[M+HCOO]- 391.25754 205.5
[M+CH3COO]- 405.27319 209.0
[M+Na-2H]- 367.23401 187.0
[M]+ 346.25879 195.8
[M]- 346.25989 195.8
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.