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 141.7
[M+Na]+ 227.07909 149.4
[M-H]- 203.08259 146.5
[M+NH4]+ 222.12369 159.0
[M+K]+ 243.05303 148.3
[M+H-H2O]+ 187.08713 134.9
[M+HCOO]- 249.08807 160.0
[M+CH3COO]- 263.10372 154.4
[M+Na-2H]- 225.06454 146.7
[M]+ 204.08932 141.0
[M]- 204.09042 141.0
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

No patent data available for this compound.