CID 77907

2-propylfuran

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CCCC1=CC=CO1

InChI

InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

InChIKey

CPLJMYOQYRCCBY-UHFFFAOYSA-N

Compound name

2-propylfuran

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 2145
Patents: 110.073166 Da
Monoisotopic Mass: 2.6
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]+	111.08044	119.8
[M+Na]+	133.06238	128.1
[M-H]-	109.06589	124.2
[M+NH4]+	128.10699	143.3
[M+K]+	149.03632	128.5
[M+H-H2O]+	93.070426	115.2
[M+HCOO]-	155.07137	145.1
[M+CH3COO]-	169.08702	167.4
[M+Na-2H]-	131.04783	127.9
[M]+	110.07262	121.8
[M]-	110.07371	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe