CID 90254

Dicyclopropylacetaldehyde

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CC1C(C=O)C2CC2

InChI

InChI=1S/C8H12O/c9-5-8(6-1-2-6)7-3-4-7/h5-8H,1-4H2

InChIKey

VJDWLGLJZNWMFB-UHFFFAOYSA-N

Compound name

2,2-dicyclopropylacetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 133
Patents: 124.08881 Da
Monoisotopic Mass: 1.9
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]+	125.096086	135.9
[M+Na]+	147.078028	143.1
[M-H]-	123.081534	143.1
[M+NH4]+	142.122633	146.4
[M+K]+	163.051968	142.2
[M+H-H2O]+	107.086070	130.0
[M+HCOO]-	169.087011	156.2
[M+CH3COO]-	183.102661	186.4
[M+Na-2H]-	145.063476	139.7
[M]+	124.08826142	139.0
[M]-	124.08935858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe