CID 21149673

Carbamic acid, thio-, s-2-pyridylmethyl ester, monohydrochloride

Structural Information

Molecular Formula
C7H8N2OS
SMILES
C1=CC=NC(=C1)CSC(=O)N
InChI
InChI=1S/C7H8N2OS/c8-7(10)11-5-6-3-1-2-4-9-6/h1-4H,5H2,(H2,8,10)
InChIKey
HGLZMLLSWZZTEJ-UHFFFAOYSA-N
Compound name
S-(pyridin-2-ylmethyl) carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.03574 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 133.0
[M+Na]+ 191.02496 144.2
[M+NH4]+ 186.06956 141.4
[M+K]+ 206.99890 136.7
[M-H]- 167.02846 135.0
[M+Na-2H]- 189.01041 139.3
[M]+ 168.03519 135.5
[M]- 168.03629 135.5
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

patents stripe