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 137.0
[M+Na]+ 213.06345 145.2
[M-H]- 189.06695 142.0
[M+NH4]+ 208.10805 154.9
[M+K]+ 229.03739 144.4
[M+H-H2O]+ 173.07149 130.5
[M+HCOO]- 235.07243 155.7
[M+CH3COO]- 249.08808 150.2
[M+Na-2H]- 211.04890 142.6
[M]+ 190.07368 136.0
[M]- 190.07478 136.0
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