CID 5251503

Noxytiolin

Structural Information

Molecular Formula
C3H8N2OS
SMILES
CNC(=S)NCO
InChI
InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)
InChIKey
JLMHZVYLAQPMOZ-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

1064
Patents

120.035736 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.043012 122.5
[M+Na]+ 143.024954 128.8
[M-H]- 119.028460 121.7
[M+NH4]+ 138.069559 144.0
[M+K]+ 158.998894 127.2
[M+H-H2O]+ 103.032996 117.3
[M+HCOO]- 165.033937 141.3
[M+CH3COO]- 179.049587 169.5
[M+Na-2H]- 141.010402 126.2
[M]+ 120.03518742 120.8
[M]- 120.03628458 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe