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

literature stripe

Patent stripe

patents stripe