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 159.1
[M+Na]+ 290.08215 167.3
[M-H]- 266.08565 166.0
[M+NH4]+ 285.12675 180.5
[M+K]+ 306.05609 167.3
[M+H-H2O]+ 250.09019 154.3
[M+HCOO]- 312.09113 176.8
[M+CH3COO]- 326.10678 199.7
[M+Na-2H]- 288.06760 162.0
[M]+ 267.09238 166.1
[M]- 267.09348 166.1
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