CID 154159823

2111662-23-6

Structural Information

Molecular Formula
C6H6N2O2S
SMILES
COC(=O)C1=CNC(=S)N=C1
InChI
InChI=1S/C6H6N2O2S/c1-10-5(9)4-2-7-6(11)8-3-4/h2-3H,1H3,(H,7,8,11)
InChIKey
OLSWYHLAEHWMPW-UHFFFAOYSA-N
Compound name
methyl 2-sulfanylidene-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.015 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02228 133.2
[M+Na]+ 193.00422 145.3
[M+NH4]+ 188.04882 140.4
[M+K]+ 208.97816 138.5
[M-H]- 169.00772 133.0
[M+Na-2H]- 190.98967 138.4
[M]+ 170.01445 135.1
[M]- 170.01555 135.1
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.