CID 51909

Brn 3288636

Structural Information

Molecular Formula
C10H13NO3S
SMILES
COC1=CC=C(C=C1)NC(=O)SCCO
InChI
InChI=1S/C10H13NO3S/c1-14-9-4-2-8(3-5-9)11-10(13)15-7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKey
MGSMZGBVPAYIBI-UHFFFAOYSA-N
Compound name
S-(2-hydroxyethyl) N-(4-methoxyphenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.068886 148.4
[M+Na]+ 250.050828 154.9
[M-H]- 226.054334 150.7
[M+NH4]+ 245.095433 166.1
[M+K]+ 266.024768 152.0
[M+H-H2O]+ 210.058870 142.0
[M+HCOO]- 272.059811 166.6
[M+CH3COO]- 286.075461 186.3
[M+Na-2H]- 248.036276 151.0
[M]+ 227.06106142 151.3
[M]- 227.06215858 151.3
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.