CID 57440906

921760-69-2

Structural Information

Molecular Formula
C9H8N2
SMILES
C1CC1C2=C(C=CC=N2)C#N
InChI
InChI=1S/C9H8N2/c10-6-8-2-1-5-11-9(8)7-3-4-7/h1-2,5,7H,3-4H2
InChIKey
BXVQUHAHCVFATN-UHFFFAOYSA-N
Compound name
2-cyclopropylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

144.06874 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe