CID 54857205

2-(aminomethyl)-1h-imidazole-4-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C5H7N3O2
SMILES
C1=C(NC(=N1)CN)C(=O)O
InChI
InChI=1S/C5H7N3O2/c6-1-4-7-2-3(8-4)5(9)10/h2H,1,6H2,(H,7,8)(H,9,10)
InChIKey
JQLGRAZHQZSYHP-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1H-imidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.05383 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 127.3
[M+Na]+ 164.04305 135.9
[M+NH4]+ 159.08765 133.2
[M+K]+ 180.01699 134.9
[M-H]- 140.04655 125.7
[M+Na-2H]- 162.02850 130.6
[M]+ 141.05328 127.5
[M]- 141.05438 127.5
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

patents stripe