CID 14225662

2,2-dimethylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC1(CC1C=O)C

InChI

InChI=1S/C6H10O/c1-6(2)3-5(6)4-7/h4-5H,3H2,1-2H3

InChIKey

PQTDYOQEPYGGHF-UHFFFAOYSA-N

Compound name

2,2-dimethylcyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 98.073166 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]+	99.080442	118.7
[M+Na]+	121.062384	129.7
[M-H]-	97.065890	124.3
[M+NH4]+	116.106989	139.5
[M+K]+	137.036324	129.1
[M+H-H2O]+	81.070426	114.8
[M+HCOO]-	143.071367	142.8
[M+CH3COO]-	157.087017	171.3
[M+Na-2H]-	119.047832	126.8
[M]+	98.07261742	122.6
[M]-	98.07371458	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe