CID 20911

Niagara 10586

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

CC1=C2CC(OC2=C(C=C1)OC(=O)NC)(C)C

InChI

InChI=1S/C13H17NO3/c1-8-5-6-10(16-12(15)14-4)11-9(8)7-13(2,3)17-11/h5-6H,7H2,1-4H3,(H,14,15)

InChIKey

FMGLKNCPXAFVRR-UHFFFAOYSA-N

Compound name

(2,2,4-trimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 235.12085 Da
Monoisotopic Mass: 2.7
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]+	236.128126	151.4
[M+Na]+	258.110068	160.4
[M-H]-	234.113574	157.3
[M+NH4]+	253.154673	173.2
[M+K]+	274.084008	159.6
[M+H-H2O]+	218.118110	146.7
[M+HCOO]-	280.119051	173.8
[M+CH3COO]-	294.134701	193.9
[M+Na-2H]-	256.095516	156.7
[M]+	235.12030142	155.1
[M]-	235.12139858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe