CID 119094562

2-(1-hydroxyethyl)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CC(C1=NC=CC(=C1)C(=S)N)O
InChI
InChI=1S/C8H10N2OS/c1-5(11)7-4-6(8(9)12)2-3-10-7/h2-5,11H,1H3,(H2,9,12)
InChIKey
MQOOLGHNMOFSSV-UHFFFAOYSA-N
Compound name
2-(1-hydroxyethyl)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 137.4
[M+Na]+ 205.040608 144.7
[M-H]- 181.044114 138.2
[M+NH4]+ 200.085213 155.3
[M+K]+ 221.014548 141.2
[M+H-H2O]+ 165.048650 131.2
[M+HCOO]- 227.049591 152.8
[M+CH3COO]- 241.065241 180.4
[M+Na-2H]- 203.026056 138.7
[M]+ 182.05084142 135.8
[M]- 182.05193858 135.8
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.