CID 571581

24966-13-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

147.06842 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe