CID 201791

6842-34-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₃S

SMILES

CNC(=O)OC1=CC=CC=C1C2OCCS2

InChI

InChI=1S/C11H13NO3S/c1-12-11(13)15-9-5-3-2-4-8(9)10-14-6-7-16-10/h2-5,10H,6-7H2,1H3,(H,12,13)

InChIKey

HRKDQJLXVNMUPN-UHFFFAOYSA-N

Compound name

[2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.06161 Da
Monoisotopic Mass: 1.7
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]+	240.06889	152.0
[M+Na]+	262.05083	158.4
[M-H]-	238.05433	159.5
[M+NH4]+	257.09543	170.3
[M+K]+	278.02477	157.3
[M+H-H2O]+	222.05887	145.8
[M+HCOO]-	284.05981	170.4
[M+CH3COO]-	298.07546	188.2
[M+Na-2H]-	260.03628	153.9
[M]+	239.06106	153.5
[M]-	239.06216	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe