CID 5463088

2-propenenitrile, 3-(4-methylphenyl)-

Structural Information

Molecular Formula
C10H9N
SMILES
CC1=CC=C(C=C1)/C=C/C#N
InChI
InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3/b3-2+
InChIKey
WHECQDVQLPVCRX-NSCUHMNNSA-N
Compound name
(E)-3-(4-methylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

143.0735 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08078 131.0
[M+Na]+ 166.06272 141.5
[M-H]- 142.06622 134.5
[M+NH4]+ 161.10732 150.7
[M+K]+ 182.03666 137.6
[M+H-H2O]+ 126.07076 119.2
[M+HCOO]- 188.07170 151.8
[M+CH3COO]- 202.08735 188.1
[M+Na-2H]- 164.04817 137.6
[M]+ 143.07295 125.9
[M]- 143.07405 125.9
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