CID 1380731

3111-89-5

Structural Information

Molecular Formula
C9H11NOS
SMILES
CCOC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12)
InChIKey
WXNKKAIEQXMTBZ-UHFFFAOYSA-N
Compound name
O-ethyl N-phenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

181.05614 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.063416 137.5
[M+Na]+ 204.045358 144.4
[M-H]- 180.048864 141.2
[M+NH4]+ 199.089963 157.7
[M+K]+ 220.019298 141.7
[M+H-H2O]+ 164.053400 131.4
[M+HCOO]- 226.054341 157.1
[M+CH3COO]- 240.069991 180.6
[M+Na-2H]- 202.030806 141.5
[M]+ 181.05559142 138.7
[M]- 181.05668858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe