CID 3036124

91403-55-3

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1CN=C(N1)C2CC3=CC=CC=C3O2
InChI
InChI=1S/C11H12N2O/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChIKey
LNWJIGHZWAERHO-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

6
Patents

188.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.9
[M+Na]+ 211.08418 146.6
[M-H]- 187.08768 143.1
[M+NH4]+ 206.12878 158.2
[M+K]+ 227.05812 144.1
[M+H-H2O]+ 171.09222 131.8
[M+HCOO]- 233.09316 158.1
[M+CH3COO]- 247.10881 151.7
[M+Na-2H]- 209.06963 143.4
[M]+ 188.09441 136.2
[M]- 188.09551 136.2
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