CID 49867164

2h-imidazol-4-ylacetic acid

Structural Information

Molecular Formula
C5H6N2O2
SMILES
C1N=CC(=N1)CC(=O)O
InChI
InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)
InChIKey
RMEAVYUMFHJQAD-UHFFFAOYSA-N
Compound name
2-(2H-imidazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

126.04293 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 122.4
[M+Na]+ 149.03215 131.0
[M-H]- 125.03565 122.3
[M+NH4]+ 144.07675 142.8
[M+K]+ 165.00609 130.2
[M+H-H2O]+ 109.04019 115.9
[M+HCOO]- 171.04113 144.6
[M+CH3COO]- 185.05678 166.0
[M+Na-2H]- 147.01760 128.6
[M]+ 126.04238 122.2
[M]- 126.04348 122.2
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

No patent data available for this compound.