CID 53481614

Hydroxypropionylcarnitine

Structural Information

Molecular Formula
C10H20NO5
SMILES
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCO
InChI
InChI=1S/C10H19NO5/c1-11(2,3)7-8(6-9(13)14)16-10(15)4-5-12/h8,12H,4-7H2,1-3H3/p+1/t8-/m0/s1
InChIKey
QJGJXKFJFRSERW-QMMMGPOBSA-O
Compound name
[(2S)-3-carboxy-2-(3-hydroxypropanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

66
Patents

234.13416 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14144 150.4
[M+Na]+ 257.12338 154.8
[M-H]- 233.12688 149.2
[M+NH4]+ 252.16798 167.1
[M+K]+ 273.09732 150.0
[M+H-H2O]+ 217.13142 148.3
[M+HCOO]- 279.13236 169.1
[M+CH3COO]- 293.14801 184.4
[M+Na-2H]- 255.10883 155.2
[M]+ 234.13361 151.9
[M]- 234.13471 151.9
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.