CID 83479766

1-(2-aminoethyl)-1h-imidazole-5-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C6H9N3O2
SMILES
C1=C(N(C=N1)CCN)C(=O)O
InChI
InChI=1S/C6H9N3O2/c7-1-2-9-4-8-3-5(9)6(10)11/h3-4H,1-2,7H2,(H,10,11)
InChIKey
LDFVZUPFDYSITQ-UHFFFAOYSA-N
Compound name
3-(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]+ 156.076746 130.8
[M+Na]+ 178.058688 138.9
[M-H]- 154.062194 130.4
[M+NH4]+ 173.103293 149.7
[M+K]+ 194.032628 137.4
[M+H-H2O]+ 138.066730 123.8
[M+HCOO]- 200.067671 153.0
[M+CH3COO]- 214.083321 174.5
[M+Na-2H]- 176.044136 135.1
[M]+ 155.06892142 129.6
[M]- 155.07001858 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.