CID 564185

57276-32-1

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC1C(=O)CC2=CC=CC=N2
InChI
InChI=1S/C10H11NO/c12-10(8-4-5-8)7-9-3-1-2-6-11-9/h1-3,6,8H,4-5,7H2
InChIKey
MBPIDEXJDRYAKY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-pyridin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

161.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 135.7
[M+Na]+ 184.073278 144.7
[M-H]- 160.076784 141.8
[M+NH4]+ 179.117883 150.1
[M+K]+ 200.047218 141.9
[M+H-H2O]+ 144.081320 128.2
[M+HCOO]- 206.082261 158.8
[M+CH3COO]- 220.097911 181.0
[M+Na-2H]- 182.058726 142.5
[M]+ 161.08351142 137.6
[M]- 161.08460858 137.6
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

patents stripe