CID 18615674

162960-28-3

Structural Information

Molecular Formula
C9H8N2
SMILES
C1CC1(C#N)C2=CC=CC=N2
InChI
InChI=1S/C9H8N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5H2
InChIKey
GAEVNPHZQRROPK-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

144.06874 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 130.0
[M+Na]+ 167.057958 146.1
[M-H]- 143.061464 137.3
[M+NH4]+ 162.102563 147.0
[M+K]+ 183.031898 139.8
[M+H-H2O]+ 127.066000 119.8
[M+HCOO]- 189.066941 151.7
[M+CH3COO]- 203.082591 144.1
[M+Na-2H]- 165.043406 140.4
[M]+ 144.06819142 128.4
[M]- 144.06928858 128.4
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