CID 5319754

2-methyl-2-pentenal

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC/C=C(\C)/C=O

InChI

InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+

InChIKey

IDEYZABHVQLHAF-GQCTYLIASA-N

Compound name

(E)-2-methylpent-2-enal

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 1938
Patents: 98.073166 Da
Monoisotopic Mass: 1.4
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	120.2
[M+Na]+	121.06238	131.1
[M+NH4]+	116.10699	128.4
[M+K]+	137.03632	125.3
[M-H]-	97.065890	119.7
[M+Na-2H]-	119.04783	124.3
[M]+	98.072617	121.4
[M]-	98.073715	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe