CID 20736888

2-(2-methyl-1h-imidazol-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=NC=C(N1)CC(=O)O
InChI
InChI=1S/C6H8N2O2/c1-4-7-3-5(8-4)2-6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
KDUUAAQFXVENJT-UHFFFAOYSA-N
Compound name
2-(2-methyl-1H-imidazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

140.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 127.6
[M+Na]+ 163.04780 136.2
[M-H]- 139.05130 126.3
[M+NH4]+ 158.09240 147.0
[M+K]+ 179.02174 134.2
[M+H-H2O]+ 123.05584 121.4
[M+HCOO]- 185.05678 147.9
[M+CH3COO]- 199.07243 167.6
[M+Na-2H]- 161.03325 132.0
[M]+ 140.05803 126.2
[M]- 140.05913 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe