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	151.9
[M+Na]+	262.05083	161.8
[M+NH4]+	257.09543	160.2
[M+K]+	278.02477	156.6
[M-H]-	238.05433	156.6
[M+Na-2H]-	260.03628	157.1
[M]+	239.06106	154.9
[M]-	239.06216	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe