CID 33640

4208-61-1

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCC(C1=CC=CO1)O

InChI

InChI=1S/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h3-6,8H,2H2,1H3

InChIKey

MWXWHUXLVXOXBZ-UHFFFAOYSA-N

Compound name

1-(furan-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 126.06808 Da
Monoisotopic Mass: 1.1
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]+	127.07536	124.3
[M+Na]+	149.05730	135.2
[M+NH4]+	144.10190	132.9
[M+K]+	165.03124	132.3
[M-H]-	125.06080	126.4
[M+Na-2H]-	147.04275	129.4
[M]+	126.06753	126.3
[M]-	126.06863	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe