CID 20439331

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

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C=C(N=C1CN)C(=O)O
InChI
InChI=1S/C6H9N3O2/c1-9-3-4(6(10)11)8-5(9)2-7/h3H,2,7H2,1H3,(H,10,11)
InChIKey
SCBXCYHMGSGMIP-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1-methylimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.06947 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 130.8
[M+Na]+ 178.05869 139.9
[M-H]- 154.06219 130.8
[M+NH4]+ 173.10329 150.0
[M+K]+ 194.03263 138.3
[M+H-H2O]+ 138.06673 124.2
[M+HCOO]- 200.06767 153.0
[M+CH3COO]- 214.08332 175.7
[M+Na-2H]- 176.04414 134.4
[M]+ 155.06892 129.9
[M]- 155.07002 129.9
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