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]+ 209.07431 141.0
[M+Na]+ 231.05625 150.0
[M-H]- 207.05975 146.8
[M+NH4]+ 226.10085 153.9
[M+K]+ 247.03019 145.5
[M+H-H2O]+ 191.06429 133.6
[M+HCOO]- 253.06523 159.4
[M+CH3COO]- 267.08088 189.6
[M+Na-2H]- 229.04170 143.8
[M]+ 208.06648 143.7
[M]- 208.06758 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.