CID 566321

1-methyl-1h-imidazol-2-amine

Structural Information

Molecular Formula
C4H7N3
SMILES
CN1C=CN=C1N
InChI
InChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)
InChIKey
NQCJWEXYVVFKBT-UHFFFAOYSA-N
Compound name
1-methylimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

649
Patents

97.063995 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.071271 115.8
[M+Na]+ 120.053213 125.4
[M-H]- 96.056719 116.9
[M+NH4]+ 115.097818 138.0
[M+K]+ 136.027153 124.4
[M+H-H2O]+ 80.061255 109.2
[M+HCOO]- 142.062196 140.5
[M+CH3COO]- 156.077846 166.9
[M+Na-2H]- 118.038661 122.9
[M]+ 97.06344642 114.2
[M]- 97.06454358 114.2
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

patents stripe