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: 14
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]+	208.096816	143.2
[M+Na]+	230.078758	152.1
[M-H]-	206.082264	148.5
[M+NH4]+	225.123363	165.5
[M+K]+	246.052698	151.3
[M+H-H2O]+	190.086800	138.5
[M+HCOO]-	252.087741	165.6
[M+CH3COO]-	266.103391	186.6
[M+Na-2H]-	228.064206	149.1
[M]+	207.08899142	144.9
[M]-	207.09008858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe