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

18778
Patents

197.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 142.7
[M+Na]+ 220.08451 152.8
[M-H]- 196.08801 145.0
[M+NH4]+ 215.12911 158.6
[M+K]+ 236.05845 147.7
[M+H-H2O]+ 180.09255 127.1
[M+HCOO]- 242.09349 161.8
[M+CH3COO]- 256.10914 153.9
[M+Na-2H]- 218.06996 147.8
[M]+ 197.09474 137.7
[M]- 197.09584 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