CID 3083950

1-(carboxymethyl)-2-methylpyridinium chloride

Structural Information

Molecular Formula
C8H10NO2
SMILES
CC1=CC=CC=[N+]1CC(=O)O
InChI
InChI=1S/C8H9NO2/c1-7-4-2-3-5-9(7)6-8(10)11/h2-5H,6H2,1H3/p+1
InChIKey
GKQUOEYTUXLOBV-UHFFFAOYSA-O
Compound name
2-(2-methylpyridin-1-ium-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

152.07115 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.078426 130.1
[M+Na]+ 175.060368 138.5
[M-H]- 151.063874 131.8
[M+NH4]+ 170.104973 149.2
[M+K]+ 191.034308 131.3
[M+H-H2O]+ 135.068410 127.0
[M+HCOO]- 197.069351 151.7
[M+CH3COO]- 211.085001 166.5
[M+Na-2H]- 173.045816 138.8
[M]+ 152.07060142 129.0
[M]- 152.07169858 129.0
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

patents stripe