CID 15105155

(3ar,6ar)-octahydropentalene-3a-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2CCCC2(C1)C=O

InChI

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

InChIKey

HJZNSVIKKJIXCR-UHFFFAOYSA-N

Compound name

2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	132.3
[M+Na]+	161.09368	141.1
[M+NH4]+	156.13828	143.6
[M+K]+	177.06762	136.3
[M-H]-	137.09718	133.7
[M+Na-2H]-	159.07913	136.8
[M]+	138.10391	133.8
[M]-	138.10501	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe