CID 24843436

96804-62-5

Structural Information

Molecular Formula
C10H19N3O2S
SMILES
CN(C)N(CCC(=O)OC)C(=S)NCC=C
InChI
InChI=1S/C10H19N3O2S/c1-5-7-11-10(16)13(12(2)3)8-6-9(14)15-4/h5H,1,6-8H2,2-4H3,(H,11,16)
InChIKey
RVZDRMHSBOXMOY-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.1198 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12708 159.5
[M+Na]+ 268.10902 162.9
[M-H]- 244.11252 161.9
[M+NH4]+ 263.15362 177.4
[M+K]+ 284.08296 163.1
[M+H-H2O]+ 228.11706 151.9
[M+HCOO]- 290.11800 179.0
[M+CH3COO]- 304.13365 205.6
[M+Na-2H]- 266.09447 158.4
[M]+ 245.11925 163.4
[M]- 245.12035 163.4
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