CID 13670199

Propanoic acid, 3-(2,2-dimethyl-1-((methylamino)thioxomethyl)hydrazino)-, methyl ester

Structural Information

Molecular Formula
C8H17N3O2S
SMILES
CNC(=S)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C8H17N3O2S/c1-9-8(14)11(10(2)3)6-5-7(12)13-4/h5-6H2,1-4H3,(H,9,14)
InChIKey
LAINYXBPOLXOLD-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(methylcarbamothioyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.10414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.111416 151.7
[M+Na]+ 242.093358 155.7
[M-H]- 218.096864 154.5
[M+NH4]+ 237.137963 170.8
[M+K]+ 258.067298 157.0
[M+H-H2O]+ 202.101400 144.4
[M+HCOO]- 264.102341 171.7
[M+CH3COO]- 278.117991 200.5
[M+Na-2H]- 240.078806 151.6
[M]+ 219.10359142 155.6
[M]- 219.10468858 155.6
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