CID 39704

N-(methylsulfenyl)carbofuran

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SC)C
InChI
InChI=1S/C13H17NO3S/c1-13(2)8-9-6-5-7-10(11(9)17-13)16-12(15)14(3)18-4/h5-7H,8H2,1-4H3
InChIKey
XGRHWGZYFDQGOO-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-methylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.09293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 159.8
[M+Na]+ 290.08215 169.7
[M+NH4]+ 285.12675 169.5
[M+K]+ 306.05609 162.8
[M-H]- 266.08565 163.1
[M+Na-2H]- 288.06760 164.5
[M]+ 267.09238 162.7
[M]- 267.09348 162.7
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

patents stripe