CID 10866363

39077-59-3

Structural Information

Molecular Formula
C8H6N2
SMILES
C1=CC=NC(=C1)/C=C/C#N
InChI
InChI=1S/C8H6N2/c9-6-3-5-8-4-1-2-7-10-8/h1-5,7H/b5-3+
InChIKey
ZIMQURWVGPGVMM-HWKANZROSA-N
Compound name
(E)-3-pyridin-2-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

130.0531 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06038 125.6
[M+Na]+ 153.04232 135.7
[M-H]- 129.04582 127.3
[M+NH4]+ 148.08692 144.1
[M+K]+ 169.01626 132.4
[M+H-H2O]+ 113.05036 112.7
[M+HCOO]- 175.05130 145.7
[M+CH3COO]- 189.06695 184.0
[M+Na-2H]- 151.02777 133.8
[M]+ 130.05255 119.8
[M]- 130.05365 119.8
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