CID 21591996

4-hydroxy-5-(trimethylazaniumyl)pentanoate

Structural Information

Molecular Formula
C8H18NO3
SMILES
C[N+](C)(C)CC(CCC(=O)O)O
InChI
InChI=1S/C8H17NO3/c1-9(2,3)6-7(10)4-5-8(11)12/h7,10H,4-6H2,1-3H3/p+1
InChIKey
DOKDEBCRGLMMKR-UHFFFAOYSA-O
Compound name
(4-carboxy-2-hydroxybutyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12866 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13594 137.2
[M+Na]+ 199.11788 146.5
[M+NH4]+ 194.16248 144.4
[M+K]+ 215.09182 144.5
[M-H]- 175.12138 136.6
[M+Na-2H]- 197.10333 139.9
[M]+ 176.12811 138.3
[M]- 176.12921 138.3
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.