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

0
Patents

168.03574 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.043016 132.6
[M+Na]+ 191.024958 140.4
[M-H]- 167.028464 134.7
[M+NH4]+ 186.069563 151.7
[M+K]+ 206.998898 137.6
[M+H-H2O]+ 151.033000 126.1
[M+HCOO]- 213.033941 151.1
[M+CH3COO]- 227.049591 177.2
[M+Na-2H]- 189.010406 136.7
[M]+ 168.03519142 132.7
[M]- 168.03628858 132.7
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