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

7
Patents

183.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 136.3
[M+Na]+ 206.02462 143.9
[M-H]- 182.02812 139.1
[M+NH4]+ 201.06922 155.9
[M+K]+ 221.99856 141.0
[M+H-H2O]+ 166.03266 130.6
[M+HCOO]- 228.03360 154.9
[M+CH3COO]- 242.04925 178.2
[M+Na-2H]- 204.01007 139.8
[M]+ 183.03485 137.1
[M]- 183.03595 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