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 137.1
[M+Na]+ 199.11788 142.5
[M-H]- 175.12138 136.3
[M+NH4]+ 194.16248 156.4
[M+K]+ 215.09182 137.2
[M+H-H2O]+ 159.12592 135.7
[M+HCOO]- 221.12686 156.8
[M+CH3COO]- 235.14251 175.2
[M+Na-2H]- 197.10333 143.8
[M]+ 176.12811 136.5
[M]- 176.12921 136.5
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.