CID 3086489

103124-99-8

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1CN=C(N1)NC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13)
InChIKey
YSPUUFZLWUWKHF-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
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 140.4
[M+Na]+ 228.07435 147.7
[M-H]- 204.07785 145.4
[M+NH4]+ 223.11895 157.3
[M+K]+ 244.04829 146.7
[M+H-H2O]+ 188.08239 133.4
[M+HCOO]- 250.08333 160.1
[M+CH3COO]- 264.09898 153.0
[M+Na-2H]- 226.05980 146.7
[M]+ 205.08458 138.7
[M]- 205.08568 138.7
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