CID 4606882

34122-57-1

Structural Information

Molecular Formula
C4H9N3
SMILES
CN1CCN=C1N
InChI
InChI=1S/C4H9N3/c1-7-3-2-6-4(7)5/h2-3H2,1H3,(H2,5,6)
InChIKey
LVZDYZBGDSGSCR-UHFFFAOYSA-N
Compound name
1-methyl-4,5-dihydroimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

99.07965 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.086926 117.9
[M+Na]+ 122.068868 126.4
[M-H]- 98.072374 118.6
[M+NH4]+ 117.113473 139.9
[M+K]+ 138.042808 125.8
[M+H-H2O]+ 82.076910 111.2
[M+HCOO]- 144.077851 141.1
[M+CH3COO]- 158.093501 167.3
[M+Na-2H]- 120.054316 123.9
[M]+ 99.07910142 114.9
[M]- 99.08019858 114.9
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