CID 105427373

2-cyclopropyl-2-methoxypropanal

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC(C=O)(C1CC1)OC

InChI

InChI=1S/C7H12O2/c1-7(5-8,9-2)6-3-4-6/h5-6H,3-4H2,1-2H3

InChIKey

HLXRSKNQTXZRHF-UHFFFAOYSA-N

Compound name

2-cyclopropyl-2-methoxypropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.08372 Da
Monoisotopic Mass: 0.6
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]+	129.09100	128.7
[M+Na]+	151.07294	140.5
[M+NH4]+	146.11754	137.3
[M+K]+	167.04688	137.0
[M-H]-	127.07644	135.7
[M+Na-2H]-	149.05839	136.2
[M]+	128.08317	133.4
[M]-	128.08427	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.