CID 75959

2739-97-1

Structural Information

Molecular Formula
C7H6N2
SMILES
C1=CC=NC(=C1)CC#N
InChI
InChI=1S/C7H6N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4H2
InChIKey
UKVQBONVSSLJBB-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2648
Patents

118.0531 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 121.2
[M+Na]+ 141.04232 131.3
[M-H]- 117.04582 123.0
[M+NH4]+ 136.08692 140.1
[M+K]+ 157.01626 128.9
[M+H-H2O]+ 101.05036 108.4
[M+HCOO]- 163.05130 141.4
[M+CH3COO]- 177.06695 182.7
[M+Na-2H]- 139.02777 130.0
[M]+ 118.05255 115.8
[M]- 118.05365 115.8
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