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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.095106	162.1
[M+Na]+	306.077048	170.1
[M-H]-	282.080554	168.9
[M+NH4]+	301.121653	182.8
[M+K]+	322.050988	170.7
[M+H-H2O]+	266.085090	157.2
[M+HCOO]-	328.086031	180.1
[M+CH3COO]-	342.101681	201.8
[M+Na-2H]-	304.062496	165.3
[M]+	283.08728142	170.6
[M]-	283.08837858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe