CID 29878

19962-05-1

Structural Information

Molecular Formula
C8H9NO2S
SMILES
CSC(=O)NC1=CC(=CC=C1)O
InChI
InChI=1S/C8H9NO2S/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKey
FZMQIVKTRXXFDS-UHFFFAOYSA-N
Compound name
S-methyl N-(3-hydroxyphenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

183.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 136.3
[M+Na]+ 206.024618 143.9
[M-H]- 182.028124 139.1
[M+NH4]+ 201.069223 155.9
[M+K]+ 221.998558 141.0
[M+H-H2O]+ 166.032660 130.6
[M+HCOO]- 228.033601 154.9
[M+CH3COO]- 242.049251 178.2
[M+Na-2H]- 204.010066 139.8
[M]+ 183.03485142 137.1
[M]- 183.03594858 137.1
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

patents stripe