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: 380
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	119.5
[M+Na]+	121.06238	129.0
[M-H]-	97.065890	124.4
[M+NH4]+	116.10699	138.1
[M+K]+	137.03632	127.7
[M+H-H2O]+	81.070426	114.1
[M+HCOO]-	143.07137	144.1
[M+CH3COO]-	157.08702	170.7
[M+Na-2H]-	119.04783	127.3
[M]+	98.072617	122.7
[M]-	98.073715	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe