CID 3086499

K-6341

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CN=C(N1)CC2=C3C(=CC=C2)OCO3
InChI
InChI=1S/C11H12N2O2/c1-2-8(6-10-12-4-5-13-10)11-9(3-1)14-7-15-11/h1-3H,4-7H2,(H,12,13)
InChIKey
JJSGBMAXLFUUSB-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-4-ylmethyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.9
[M+Na]+ 227.07909 154.8
[M+NH4]+ 222.12369 151.2
[M+K]+ 243.05303 153.2
[M-H]- 203.08259 147.5
[M+Na-2H]- 225.06454 147.6
[M]+ 204.08932 145.7
[M]- 204.09042 145.7
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.