CID 90325

23996-12-5

Structural Information

Molecular Formula
C12H11N3
SMILES
C1=CC=C(C=C1)C2=NC=CN2CCC#N
InChI
InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2
InChIKey
BVYPJEBKDLFIDL-UHFFFAOYSA-N
Compound name
3-(2-phenylimidazol-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15149
Patents

197.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 142.7
[M+Na]+ 220.084508 152.8
[M-H]- 196.088014 145.0
[M+NH4]+ 215.129113 158.6
[M+K]+ 236.058448 147.7
[M+H-H2O]+ 180.092550 127.1
[M+HCOO]- 242.093491 161.8
[M+CH3COO]- 256.109141 153.9
[M+Na-2H]- 218.069956 147.8
[M]+ 197.09474142 137.7
[M]- 197.09583858 137.7
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

patents stripe