CID 20923

4790-87-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-11(2)6-7-4-3-5-8(9(7)15-11)14-10(12)13/h3-5H,6H2,1-2H3,(H2,12,13)

InChIKey

QTBBEJJXBYGFAP-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl) carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.08954 Da
Monoisotopic Mass: 1.9
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]+	208.09682	143.5
[M+Na]+	230.07876	154.1
[M+NH4]+	225.12336	153.0
[M+K]+	246.05270	149.5
[M-H]-	206.08226	146.4
[M+Na-2H]-	228.06421	148.6
[M]+	207.08899	145.8
[M]-	207.09009	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe