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

1
Patents

219.10414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11142 151.7
[M+Na]+ 242.09336 155.7
[M-H]- 218.09686 154.5
[M+NH4]+ 237.13796 170.8
[M+K]+ 258.06730 157.0
[M+H-H2O]+ 202.10140 144.4
[M+HCOO]- 264.10234 171.7
[M+CH3COO]- 278.11799 200.5
[M+Na-2H]- 240.07881 151.6
[M]+ 219.10359 155.6
[M]- 219.10469 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