CID 3086497

1h-imidazole, 4,5-dihydro-2-(1,3-benzodioxol-4-yl)-, monohydrochloride

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1CN=C(N1)C2=C3C(=CC=C2)OCO3
InChI
InChI=1S/C10H10N2O2/c1-2-7(10-11-4-5-12-10)9-8(3-1)13-6-14-9/h1-3H,4-6H2,(H,11,12)
InChIKey
VWEFYSPLRKIWFE-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-4-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.3
[M+Na]+ 213.06345 150.5
[M+NH4]+ 208.10805 146.8
[M+K]+ 229.03739 149.1
[M-H]- 189.06695 143.0
[M+Na-2H]- 211.04890 143.3
[M]+ 190.07368 141.2
[M]- 190.07478 141.2
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

patents stripe