CID 204217

N-acetylcarbofuran

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C14H17NO4/c1-9(16)15(4)13(17)18-11-7-5-6-10-8-14(2,3)19-12(10)11/h5-7H,8H2,1-4H3

InChIKey

BUVAFNKYHGEFIW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 263.11575 Da
Monoisotopic Mass: 2.4
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]+	264.123026	158.5
[M+Na]+	286.104968	166.2
[M-H]-	262.108474	165.4
[M+NH4]+	281.149573	179.3
[M+K]+	302.078908	167.1
[M+H-H2O]+	246.113010	153.4
[M+HCOO]-	308.113951	180.4
[M+CH3COO]-	322.129601	200.7
[M+Na-2H]-	284.090416	162.1
[M]+	263.11520142	163.4
[M]-	263.11629858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe