CID 80497727

1-(1h-imidazol-2-yl)cyclopropan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CC1(C2=NC=CN2)N
InChI
InChI=1S/C6H9N3/c7-6(1-2-6)5-8-3-4-9-5/h3-4H,1-2,7H2,(H,8,9)
InChIKey
CTVUAEFLSLBYRO-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.07965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 125.6
[M+Na]+ 146.068868 135.8
[M-H]- 122.072374 129.2
[M+NH4]+ 141.113473 142.7
[M+K]+ 162.042808 132.6
[M+H-H2O]+ 106.076910 119.2
[M+HCOO]- 168.077851 148.4
[M+CH3COO]- 182.093501 138.9
[M+Na-2H]- 144.054316 133.1
[M]+ 123.07910142 124.2
[M]- 123.08019858 124.2
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.