CID 17935379

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

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1=CN=C(N1)CC(=O)O
InChI
InChI=1S/C5H6N2O2/c8-5(9)3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKey
WUJUYHMGDPTLMG-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

1009
Patents

126.04293 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 123.3
[M+Na]+ 149.03215 131.4
[M-H]- 125.03565 121.8
[M+NH4]+ 144.07675 142.9
[M+K]+ 165.00609 129.7
[M+H-H2O]+ 109.04019 117.0
[M+HCOO]- 171.04113 143.9
[M+CH3COO]- 185.05678 163.4
[M+Na-2H]- 147.01760 128.9
[M]+ 126.04238 121.2
[M]- 126.04348 121.2
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