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 162.1
[M+Na]+ 306.07705 170.1
[M-H]- 282.08055 168.9
[M+NH4]+ 301.12165 182.8
[M+K]+ 322.05099 170.7
[M+H-H2O]+ 266.08509 157.2
[M+HCOO]- 328.08603 180.1
[M+CH3COO]- 342.10168 201.8
[M+Na-2H]- 304.06250 165.3
[M]+ 283.08728 170.6
[M]- 283.08838 170.6
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