CID 70106

Cyclopentanecarbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CCC(C1)C=O

InChI

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

InChIKey

VELDYOPRLMJFIK-UHFFFAOYSA-N

Compound name

cyclopentanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15635
Patents: 98.073166 Da
Monoisotopic Mass: 1.3
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	118.8
[M+Na]+	121.06238	125.6
[M-H]-	97.065890	122.1
[M+NH4]+	116.10699	143.7
[M+K]+	137.03632	125.2
[M+H-H2O]+	81.070426	114.1
[M+HCOO]-	143.07137	142.5
[M+CH3COO]-	157.08702	164.3
[M+Na-2H]-	119.04783	124.4
[M]+	98.072617	116.1
[M]-	98.073715	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe