CID 371711

Nsc646159

Structural Information

Molecular Formula
C8H9NOS
SMILES
CN(C(=S)C1=CC=CC=C1)O
InChI
InChI=1S/C8H9NOS/c1-9(10)8(11)7-5-3-2-4-6-7/h2-6,10H,1H3
InChIKey
YUPPELVWCBEYPQ-UHFFFAOYSA-N
Compound name
N-hydroxy-N-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

167.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 133.2
[M+Na]+ 190.02970 140.1
[M-H]- 166.03320 137.1
[M+NH4]+ 185.07430 153.8
[M+K]+ 206.00364 138.1
[M+H-H2O]+ 150.03774 127.3
[M+HCOO]- 212.03868 152.1
[M+CH3COO]- 226.05433 179.1
[M+Na-2H]- 188.01515 136.6
[M]+ 167.03993 133.5
[M]- 167.04103 133.5
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.