CID 15856650

Bicyclo[4.1.0]heptane-1-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CCC2(CC2C1)C=O

InChI

InChI=1S/C8H12O/c9-6-8-4-2-1-3-7(8)5-8/h6-7H,1-5H2

InChIKey

MZICKPWWWFMEFY-UHFFFAOYSA-N

Compound name

bicyclo[4.1.0]heptane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 124.08881 Da
Monoisotopic Mass: 1.7
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]+	125.09609	128.4
[M+Na]+	147.07803	141.2
[M+NH4]+	142.12263	140.3
[M+K]+	163.05197	134.1
[M-H]-	123.08153	137.6
[M+Na-2H]-	145.06348	137.5
[M]+	124.08826	134.0
[M]-	124.08936	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe