CID 11062390

35942-94-0

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1=CC=C(O1)CCO

InChI

InChI=1S/C7H10O2/c1-6-2-3-7(9-6)4-5-8/h2-3,8H,4-5H2,1H3

InChIKey

FSHSNCBFUWPMKX-UHFFFAOYSA-N

Compound name

2-(5-methylfuran-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 126.06808 Da
Monoisotopic Mass: 1.0
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	123.2
[M+Na]+	149.05730	131.9
[M-H]-	125.06080	126.5
[M+NH4]+	144.10190	145.5
[M+K]+	165.03124	131.7
[M+H-H2O]+	109.06534	118.8
[M+HCOO]-	171.06628	147.2
[M+CH3COO]-	185.08193	167.8
[M+Na-2H]-	147.04275	130.1
[M]+	126.06753	125.0
[M]-	126.06863	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe