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

22
Patents

144.06874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07602 128.0
[M+Na]+ 167.05796 144.0
[M-H]- 143.06146 135.1
[M+NH4]+ 162.10256 143.4
[M+K]+ 183.03190 137.4
[M+H-H2O]+ 127.06600 117.1
[M+HCOO]- 189.06694 149.9
[M+CH3COO]- 203.08259 142.0
[M+Na-2H]- 165.04341 137.0
[M]+ 144.06819 126.3
[M]- 144.06929 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