CID 2759731

42590-97-6

Structural Information

Molecular Formula
C8H9NOS
SMILES
COC1=CC=CC=C1C(=S)N
InChI
InChI=1S/C8H9NOS/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5H,1H3,(H2,9,11)
InChIKey
YNEHBLLUZJTDOL-UHFFFAOYSA-N
Compound name
2-methoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

102
Patents

167.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 133.4
[M+Na]+ 190.02970 144.9
[M+NH4]+ 185.07430 142.4
[M+K]+ 206.00364 137.1
[M-H]- 166.03320 136.2
[M+Na-2H]- 188.01515 139.6
[M]+ 167.03993 136.2
[M]- 167.04103 136.2
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