CID 53913417

3-ethylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

CCC1CC(C1)C=O

InChI

InChI=1S/C7H12O/c1-2-6-3-7(4-6)5-8/h5-7H,2-4H2,1H3

InChIKey

AFRINSHOBQKVMN-UHFFFAOYSA-N

Compound name

3-ethylcyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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]+	113.09609	121.6
[M+Na]+	135.07803	128.5
[M+NH4]+	130.12263	126.6
[M+K]+	151.05197	124.4
[M-H]-	111.08153	120.4
[M+Na-2H]-	133.06348	124.5
[M]+	112.08826	120.9
[M]-	112.08936	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe