CID 118194970

3-hydroxyvalerylcarnitine

Structural Information

Molecular Formula
C12H24NO5
SMILES
CCC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O
InChI
InChI=1S/C12H23NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,14H,5-8H2,1-4H3/p+1
InChIKey
SHDVOJJCEZGPBX-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(3-hydroxypentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

262.16544 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17272 159.2
[M+Na]+ 285.15466 162.6
[M-H]- 261.15816 157.7
[M+NH4]+ 280.19926 174.7
[M+K]+ 301.12860 157.8
[M+H-H2O]+ 245.16270 156.9
[M+HCOO]- 307.16364 176.3
[M+CH3COO]- 321.17929 191.2
[M+Na-2H]- 283.14011 161.8
[M]+ 262.16489 160.7
[M]- 262.16599 160.7
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.