CID 155821820

Spiro[3.4]octane-2-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CCC2(C1)CC(C2)C=O

InChI

InChI=1S/C9H14O/c10-7-8-5-9(6-8)3-1-2-4-9/h7-8H,1-6H2

InChIKey

FCTABFHQROLCAP-UHFFFAOYSA-N

Compound name

spiro[3.4]octane-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.2
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]+	139.111736	125.5
[M+Na]+	161.093678	131.1
[M-H]-	137.097184	131.1
[M+NH4]+	156.138283	144.6
[M+K]+	177.067618	132.2
[M+H-H2O]+	121.101720	117.0
[M+HCOO]-	183.102661	146.7
[M+CH3COO]-	197.118311	175.1
[M+Na-2H]-	159.079126	131.0
[M]+	138.10391142	130.9
[M]-	138.10500858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.