CID 51909

73623-21-9

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]+ 228.06889 148.4
[M+Na]+ 250.05083 154.9
[M-H]- 226.05433 150.7
[M+NH4]+ 245.09543 166.1
[M+K]+ 266.02477 152.0
[M+H-H2O]+ 210.05887 142.0
[M+HCOO]- 272.05981 166.6
[M+CH3COO]- 286.07546 186.3
[M+Na-2H]- 248.03628 151.0
[M]+ 227.06106 151.3
[M]- 227.06216 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.