CID 156962839

4-amino-3-hydroxybutanoylcarnitine

Structural Information

Molecular Formula
C11H23N2O5
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CC(CN)O
InChI
InChI=1S/C11H22N2O5/c1-13(2,3)7-9(5-10(15)16)18-11(17)4-8(14)6-12/h8-9,14H,4-7,12H2,1-3H3/p+1
InChIKey
AOCBVTCNGCHPPQ-UHFFFAOYSA-O
Compound name
[2-(4-amino-3-hydroxybutanoyl)oxy-3-carboxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1607 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16798 157.9
[M+Na]+ 286.14992 160.7
[M-H]- 262.15342 156.0
[M+NH4]+ 281.19452 172.6
[M+K]+ 302.12386 156.0
[M+H-H2O]+ 246.15796 155.2
[M+HCOO]- 308.15890 175.7
[M+CH3COO]- 322.17455 192.7
[M+Na-2H]- 284.13537 160.3
[M]+ 263.16015 157.2
[M]- 263.16125 157.2
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.