CID 40267

Brn 2277785

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CNC(=O)OC1=CC=CC=C1SCC#N
InChI
InChI=1S/C10H10N2O2S/c1-12-10(13)14-8-4-2-3-5-9(8)15-7-6-11/h2-5H,7H2,1H3,(H,12,13)
InChIKey
NPIRJCCMANMYPD-UHFFFAOYSA-N
Compound name
[2-(cyanomethylsulfanyl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 152.4
[M+Na]+ 245.03552 161.6
[M-H]- 221.03902 156.2
[M+NH4]+ 240.08012 169.2
[M+K]+ 261.00946 158.9
[M+H-H2O]+ 205.04356 139.6
[M+HCOO]- 267.04450 168.4
[M+CH3COO]- 281.06015 199.5
[M+Na-2H]- 243.02097 154.9
[M]+ 222.04575 150.3
[M]- 222.04685 150.3
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

No patent data available for this compound.