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]+	139.11174	129.9
[M+Na]+	161.09368	135.3
[M+NH4]+	156.13828	136.9
[M+K]+	177.06762	131.0
[M-H]-	137.09718	129.5
[M+Na-2H]-	159.07913	133.7
[M]+	138.10391	129.4
[M]-	138.10501	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.