CID 75312451

5-hydroxypentanoylcarnitine

Structural Information

Molecular Formula
C12H24NO5
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCO
InChI
InChI=1S/C12H23NO5/c1-13(2,3)9-10(8-11(15)16)18-12(17)6-4-5-7-14/h10,14H,4-9H2,1-3H3/p+1
InChIKey
MROOWHZJOHMZOI-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(5-hydroxypentanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

262.16544 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17272 159.1
[M+Na]+ 285.15466 166.4
[M+NH4]+ 280.19926 164.0
[M+K]+ 301.12860 165.3
[M-H]- 261.15816 156.7
[M+Na-2H]- 283.14011 159.5
[M]+ 262.16489 159.3
[M]- 262.16599 159.3
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.