CID 2723853

4-methyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C2H7N3S
SMILES
CNC(=S)NN
InChI
InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
InChIKey
PTVZQOAHCSKAAS-UHFFFAOYSA-N
Compound name
1-amino-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1648
Patents

105.03607 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04335 118.8
[M+Na]+ 128.02529 125.9
[M+NH4]+ 123.06989 127.0
[M+K]+ 143.99923 120.2
[M-H]- 104.02879 119.8
[M+Na-2H]- 126.01074 122.1
[M]+ 105.03552 120.1
[M]- 105.03662 120.1
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