CID 79530

2-(1-phenylethylidene)propanedinitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
CC(=C(C#N)C#N)C1=CC=CC=C1
InChI
InChI=1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3
InChIKey
ZVOMMPYHGITOEF-UHFFFAOYSA-N
Compound name
2-(1-phenylethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

71
Patents

168.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 155.1
[M+Na]+ 191.05796 164.3
[M-H]- 167.06146 158.3
[M+NH4]+ 186.10256 168.3
[M+K]+ 207.03190 160.0
[M+H-H2O]+ 151.06600 139.9
[M+HCOO]- 213.06694 166.7
[M+CH3COO]- 227.08259 213.4
[M+Na-2H]- 189.04341 156.5
[M]+ 168.06819 145.8
[M]- 168.06929 145.8
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