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
3
Annotation Hits

79
References

1008
Patents

120.035736 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04301 122.5
[M+Na]+ 143.02495 128.8
[M-H]- 119.02846 121.7
[M+NH4]+ 138.06956 144.0
[M+K]+ 158.99889 127.2
[M+H-H2O]+ 103.03300 117.3
[M+HCOO]- 165.03394 141.3
[M+CH3COO]- 179.04959 169.5
[M+Na-2H]- 141.01040 126.2
[M]+ 120.03519 120.8
[M]- 120.03628 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