CID 12032143

3-cyclopropylpyridine

Structural Information

Molecular Formula
C8H9N
SMILES
C1CC1C2=CN=CC=C2
InChI
InChI=1S/C8H9N/c1-2-8(6-9-5-1)7-3-4-7/h1-2,5-7H,3-4H2
InChIKey
OPBDSRFLAMJZFP-UHFFFAOYSA-N
Compound name
3-cyclopropylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

119.0735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 124.3
[M+Na]+ 142.06272 134.1
[M-H]- 118.06622 130.6
[M+NH4]+ 137.10732 140.6
[M+K]+ 158.03666 131.8
[M+H-H2O]+ 102.07076 117.2
[M+HCOO]- 164.07170 148.6
[M+CH3COO]- 178.08735 138.5
[M+Na-2H]- 140.04817 133.5
[M]+ 119.07295 125.3
[M]- 119.07405 125.3
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