CID 576289

2-cyclopropanecarbonylpyridine

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC1C(=O)C2=CC=CC=N2
InChI
InChI=1S/C9H9NO/c11-9(7-4-5-7)8-3-1-2-6-10-8/h1-3,6-7H,4-5H2
InChIKey
BYBSSXPFERULBV-UHFFFAOYSA-N
Compound name
cyclopropyl(pyridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

147.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 131.4
[M+Na]+ 170.05764 140.8
[M-H]- 146.06114 137.7
[M+NH4]+ 165.10224 146.4
[M+K]+ 186.03158 138.3
[M+H-H2O]+ 130.06568 124.1
[M+HCOO]- 192.06662 154.8
[M+CH3COO]- 206.08227 178.1
[M+Na-2H]- 168.04309 138.8
[M]+ 147.06787 132.9
[M]- 147.06897 132.9
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

No patent data available for this compound.