CID 6210220

2-methyl-3-(2-furyl)propenal

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C/C(=C\C1=CC=CO1)/C=O

InChI

InChI=1S/C8H8O2/c1-7(6-9)5-8-3-2-4-10-8/h2-6H,1H3/b7-5+

InChIKey

ZNBXZUKDRRRQJK-FNORWQNLSA-N

Compound name

(E)-3-(furan-2-yl)-2-methylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 466
Patents: 136.05243 Da
Monoisotopic Mass: 1.6
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]+	137.05971	126.2
[M+Na]+	159.04165	134.4
[M-H]-	135.04515	130.6
[M+NH4]+	154.08625	148.4
[M+K]+	175.01559	134.2
[M+H-H2O]+	119.04969	121.3
[M+HCOO]-	181.05063	150.8
[M+CH3COO]-	195.06628	170.8
[M+Na-2H]-	157.02710	132.4
[M]+	136.05188	127.8
[M]-	136.05298	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe