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

57
Patents

147.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 131.4
[M+Na]+ 170.057638 140.8
[M-H]- 146.061144 137.7
[M+NH4]+ 165.102243 146.4
[M+K]+ 186.031578 138.3
[M+H-H2O]+ 130.065680 124.1
[M+HCOO]- 192.066621 154.8
[M+CH3COO]- 206.082271 178.1
[M+Na-2H]- 168.043086 138.8
[M]+ 147.06787142 132.9
[M]- 147.06896858 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

literature stripe

Patent stripe

patents stripe