CID 198628

86627-62-5

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SOC)C
InChI
InChI=1S/C13H17NO4S/c1-13(2)8-9-6-5-7-10(11(9)18-13)17-12(15)14(3)19-16-4/h5-7H,8H2,1-4H3
InChIKey
IICSVZNWLMLCAZ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methoxysulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.08783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 162.9
[M+Na]+ 306.07705 172.3
[M+NH4]+ 301.12165 172.0
[M+K]+ 322.05099 165.9
[M-H]- 282.08055 165.6
[M+Na-2H]- 304.06250 167.1
[M]+ 283.08728 165.5
[M]- 283.08838 165.5
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