CID 55523

86627-74-9

Structural Information

Molecular Formula
C13H17NO4S2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSOC)C
InChI
InChI=1S/C13H17NO4S2/c1-13(2)8-9-6-5-7-10(11(9)18-13)17-12(15)14(3)19-20-16-4/h5-7H,8H2,1-4H3
InChIKey
YCUZMNIAAYWKFY-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(methoxydisulfanyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0599 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06718 167.8
[M+Na]+ 338.04912 175.5
[M-H]- 314.05262 173.9
[M+NH4]+ 333.09372 187.1
[M+K]+ 354.02306 174.9
[M+H-H2O]+ 298.05716 163.1
[M+HCOO]- 360.05810 180.1
[M+CH3COO]- 374.07375 206.1
[M+Na-2H]- 336.03457 170.1
[M]+ 315.05935 177.1
[M]- 315.06045 177.1
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

No patent data available for this compound.