CID 86767860

Spiro[2.3]hexane-5-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC12CC(C2)C=O

InChI

InChI=1S/C7H10O/c8-5-6-3-7(4-6)1-2-7/h5-6H,1-4H2

InChIKey

QVRHIHYYNIOOAJ-UHFFFAOYSA-N

Compound name

spiro[2.3]hexane-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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]+	111.08044	122.5
[M+Na]+	133.06238	131.0
[M+NH4]+	128.10699	130.1
[M+K]+	149.03632	126.6
[M-H]-	109.06589	128.9
[M+Na-2H]-	131.04783	130.0
[M]+	110.07262	125.6
[M]-	110.07371	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe