CID 75355626

4-cyclopropylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C9H8N2
SMILES
C1CC1C2=CC(=NC=C2)C#N
InChI
InChI=1S/C9H8N2/c10-6-9-5-8(3-4-11-9)7-1-2-7/h3-5,7H,1-2H2
InChIKey
VSKDLXHJVZLEGP-UHFFFAOYSA-N
Compound name
4-cyclopropylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

144.06874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 128.0
[M+Na]+ 167.057958 144.0
[M-H]- 143.061464 135.1
[M+NH4]+ 162.102563 143.4
[M+K]+ 183.031898 137.4
[M+H-H2O]+ 127.066000 117.1
[M+HCOO]- 189.066941 149.9
[M+CH3COO]- 203.082591 142.0
[M+Na-2H]- 165.043406 137.0
[M]+ 144.06819142 126.3
[M]- 144.06928858 126.3
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