CID 3086485

1h-imidazol-2-amine, 4,5-dihydro-n-1,3-benzodioxol-4-yl-, monohydrochloride

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1CN=C(N1)NC2=C3C(=CC=C2)OCO3
InChI
InChI=1S/C10H11N3O2/c1-2-7(13-10-11-4-5-12-10)9-8(3-1)14-6-15-9/h1-3H,4-6H2,(H2,11,12,13)
InChIKey
OELABXJHQWYOOD-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-4-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.7
[M+Na]+ 228.07435 153.5
[M+NH4]+ 223.11895 150.6
[M+K]+ 244.04829 152.5
[M-H]- 204.07785 147.5
[M+Na-2H]- 226.05980 147.3
[M]+ 205.08458 145.3
[M]- 205.08568 145.3
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.