CID 86598198

Spiro[2.5]octane-6-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C1CC2(CCC1C=O)CC2

InChI

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

InChIKey

LQPGRYWUUGVTPV-UHFFFAOYSA-N

Compound name

spiro[2.5]octane-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
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	133.0
[M+Na]+	161.09368	145.7
[M+NH4]+	156.13828	144.7
[M+K]+	177.06762	138.6
[M-H]-	137.09718	143.0
[M+Na-2H]-	159.07913	142.9
[M]+	138.10391	138.9
[M]-	138.10501	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe