CID 83479767

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

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1=C(N=CN1CCN)C(=O)O
InChI
InChI=1S/C6H9N3O2/c7-1-2-9-3-5(6(10)11)8-4-9/h3-4H,1-2,7H2,(H,10,11)
InChIKey
JUTGNBYCPSTKOU-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.06947 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.8
[M+Na]+ 178.05869 138.9
[M-H]- 154.06219 130.4
[M+NH4]+ 173.10329 149.7
[M+K]+ 194.03263 137.4
[M+H-H2O]+ 138.06673 123.8
[M+HCOO]- 200.06767 153.0
[M+CH3COO]- 214.08332 174.5
[M+Na-2H]- 176.04414 135.1
[M]+ 155.06892 129.6
[M]- 155.07002 129.6
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

No patent data available for this compound.