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: 23
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]+	111.080442	119.5
[M+Na]+	133.062384	128.4
[M-H]-	109.065890	126.7
[M+NH4]+	128.106989	133.8
[M+K]+	149.036324	130.2
[M+H-H2O]+	93.070426	111.0
[M+HCOO]-	155.071367	141.8
[M+CH3COO]-	169.087017	175.2
[M+Na-2H]-	131.047832	128.1
[M]+	110.07261742	129.6
[M]-	110.07371458	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe