CID 13115534

39763-81-0

Structural Information

Molecular Formula

C₈H₈O₂

SMILES

C1CC1C2=CC=C(O2)C=O

InChI

InChI=1S/C8H8O2/c9-5-7-3-4-8(10-7)6-1-2-6/h3-6H,1-2H2

InChIKey

VAHANEOIBJTEFX-UHFFFAOYSA-N

Compound name

5-cyclopropylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 136.05243 Da
Monoisotopic Mass: 0.8
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	123.3
[M+Na]+	159.04165	134.3
[M-H]-	135.04515	132.1
[M+NH4]+	154.08625	140.9
[M+K]+	175.01559	133.2
[M+H-H2O]+	119.04969	117.8
[M+HCOO]-	181.05063	148.7
[M+CH3COO]-	195.06628	174.9
[M+Na-2H]-	157.02710	130.7
[M]+	136.05188	127.8
[M]-	136.05298	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe