CID 18967822

1-cyclopropyl-2-methoxyethanone

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

COCC(=O)C1CC1

InChI

InChI=1S/C6H10O2/c1-8-4-6(7)5-2-3-5/h5H,2-4H2,1H3

InChIKey

SRUHSAYUENORGE-UHFFFAOYSA-N

Compound name

1-cyclopropyl-2-methoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 114.06808 Da
Monoisotopic Mass: 0.3
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]+	115.07536	123.0
[M+Na]+	137.05730	132.2
[M-H]-	113.06080	127.9
[M+NH4]+	132.10190	140.8
[M+K]+	153.03124	131.4
[M+H-H2O]+	97.065340	117.5
[M+HCOO]-	159.06628	146.8
[M+CH3COO]-	173.08193	173.3
[M+Na-2H]-	135.04275	129.4
[M]+	114.06753	127.0
[M]-	114.06863	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe