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

7
Patents

207.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.2
[M+Na]+ 230.07876 152.1
[M-H]- 206.08226 148.5
[M+NH4]+ 225.12336 165.5
[M+K]+ 246.05270 151.3
[M+H-H2O]+ 190.08680 138.5
[M+HCOO]- 252.08774 165.6
[M+CH3COO]- 266.10339 186.6
[M+Na-2H]- 228.06421 149.1
[M]+ 207.08899 144.9
[M]- 207.09009 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe