CID 15279

Decarbofuran

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1CC2=C(O1)C(=CC=C2)OC(=O)NC
InChI
InChI=1S/C11H13NO3/c1-7-6-8-4-3-5-9(10(8)14-7)15-11(13)12-2/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKey
JTBBRGSSVACAJM-UHFFFAOYSA-N
Compound name
(2-methyl-2,3-dihydro-1-benzofuran-7-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5813
Patents

207.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.6
[M+Na]+ 230.07876 151.5
[M-H]- 206.08226 149.1
[M+NH4]+ 225.12336 164.1
[M+K]+ 246.05270 151.0
[M+H-H2O]+ 190.08680 138.1
[M+HCOO]- 252.08774 166.7
[M+CH3COO]- 266.10339 187.0
[M+Na-2H]- 228.06421 149.3
[M]+ 207.08899 145.8
[M]- 207.09009 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.