CID 2799113

1-formyl-4-methyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C3H7N3OS
SMILES
CNC(=S)NNC=O
InChI
InChI=1S/C3H7N3OS/c1-4-3(8)6-5-2-7/h2H,1H3,(H,5,7)(H2,4,6,8)
InChIKey
VEGDVPNETMEUAW-UHFFFAOYSA-N
Compound name
N-(methylcarbamothioylamino)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

133.03099 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03827 124.4
[M+Na]+ 156.02021 130.5
[M-H]- 132.02371 124.9
[M+NH4]+ 151.06481 145.6
[M+K]+ 171.99415 129.1
[M+H-H2O]+ 116.02825 118.4
[M+HCOO]- 178.02919 145.8
[M+CH3COO]- 192.04484 176.3
[M+Na-2H]- 154.00566 129.0
[M]+ 133.03044 123.1
[M]- 133.03154 123.1
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

patents stripe