CID 77918

1-benzylimidazole

Structural Information

Molecular Formula
C10H10N2
SMILES
C1=CC=C(C=C1)CN2C=CN=C2
InChI
InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChIKey
KKKDZZRICRFGSD-UHFFFAOYSA-N
Compound name
1-benzylimidazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

119
References

6710
Patents

158.0844 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 131.4
[M+Na]+ 181.073618 139.8
[M-H]- 157.077124 135.4
[M+NH4]+ 176.118223 151.1
[M+K]+ 197.047558 136.9
[M+H-H2O]+ 141.081660 123.3
[M+HCOO]- 203.082601 155.4
[M+CH3COO]- 217.098251 145.2
[M+Na-2H]- 179.059066 139.1
[M]+ 158.08385142 130.9
[M]- 158.08494858 130.9
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