CID 28414049

2-(cyclopropylmethoxy)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C1CC1COC2=NC=CC(=C2)C(=S)N
InChI
InChI=1S/C10H12N2OS/c11-10(14)8-3-4-12-9(5-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2,(H2,11,14)
InChIKey
WSGSPSNQKWDXEZ-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 141.0
[M+Na]+ 231.056248 150.0
[M-H]- 207.059754 146.8
[M+NH4]+ 226.100853 153.9
[M+K]+ 247.030188 145.5
[M+H-H2O]+ 191.064290 133.6
[M+HCOO]- 253.065231 159.4
[M+CH3COO]- 267.080881 189.6
[M+Na-2H]- 229.041696 143.8
[M]+ 208.06648142 143.7
[M]- 208.06757858 143.7
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

No patent data available for this compound.