CID 80472094

Bicyclo[3.1.0]hexane-3-carbaldehyde

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1C(CC2C1C2)C=O

InChI

InChI=1S/C7H10O/c8-4-5-1-6-3-7(6)2-5/h4-7H,1-3H2

InChIKey

FJCKHVMOZVPJID-UHFFFAOYSA-N

Compound name

bicyclo[3.1.0]hexane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 110.073166 Da
Monoisotopic Mass: 1.0
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	121.7
[M+Na]+	133.062384	132.1
[M-H]-	109.065890	127.2
[M+NH4]+	128.106989	142.5
[M+K]+	149.036324	129.5
[M+H-H2O]+	93.070426	116.9
[M+HCOO]-	155.071367	144.7
[M+CH3COO]-	169.087017	172.4
[M+Na-2H]-	131.047832	128.0
[M]+	110.07261742	123.6
[M]-	110.07371458	123.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe