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: 7
Patents: 161.08406 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.09134	135.7
[M+Na]+	184.07328	144.7
[M-H]-	160.07678	141.8
[M+NH4]+	179.11788	150.1
[M+K]+	200.04722	141.9
[M+H-H2O]+	144.08132	128.2
[M+HCOO]-	206.08226	158.8
[M+CH3COO]-	220.09791	181.0
[M+Na-2H]-	182.05873	142.5
[M]+	161.08351	137.6
[M]-	161.08461	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe