CID 13568406

3-cyclopropylpropanal

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC1CCC=O

InChI

InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2

InChIKey

ZPVHPQORXWAGSU-UHFFFAOYSA-N

Compound name

3-cyclopropylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 239
Patents: 98.073166 Da
Monoisotopic Mass: 1.1
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	119.4
[M+Na]+	121.06238	132.0
[M+NH4]+	116.10699	128.9
[M+K]+	137.03632	127.3
[M-H]-	97.065890	127.5
[M+Na-2H]-	119.04783	127.8
[M]+	98.072617	124.5
[M]-	98.073715	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe