CID 25210295

5-hydroxycarbofuran

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CC1(CC2=C(O1)C(=CC(=C2)O)OC(=O)NC)C

InChI

InChI=1S/C12H15NO4/c1-12(2)6-7-4-8(14)5-9(10(7)17-12)16-11(15)13-3/h4-5,14H,6H2,1-3H3,(H,13,15)

InChIKey

IZAGSXDJDGAZQJ-UHFFFAOYSA-N

Compound name

(5-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.10011 Da
Monoisotopic Mass: 2.0
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]+	238.107386	150.1
[M+Na]+	260.089328	159.0
[M-H]-	236.092834	154.8
[M+NH4]+	255.133933	171.0
[M+K]+	276.063268	158.2
[M+H-H2O]+	220.097370	145.7
[M+HCOO]-	282.098311	171.5
[M+CH3COO]-	296.113961	190.6
[M+Na-2H]-	258.074776	155.7
[M]+	237.09956142	153.1
[M]-	237.10065858	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.