CID 13670203

3-(2,2-dimethyl-1-allylthiocarbamoylhydrazino)-2-methylmethylpropionate

Structural Information

Molecular Formula
C11H21N3O2S
SMILES
CC(CN(C(=S)NCC=C)N(C)C)C(=O)OC
InChI
InChI=1S/C11H21N3O2S/c1-6-7-12-11(17)14(13(3)4)8-9(2)10(15)16-5/h6,9H,1,7-8H2,2-5H3,(H,12,17)
InChIKey
NHDDHMLQRHILHG-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(prop-2-enylcarbamothioyl)amino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.13544 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14272 164.3
[M+Na]+ 282.12466 167.1
[M-H]- 258.12816 166.6
[M+NH4]+ 277.16926 181.6
[M+K]+ 298.09860 167.6
[M+H-H2O]+ 242.13270 156.7
[M+HCOO]- 304.13364 182.5
[M+CH3COO]- 318.14929 209.5
[M+Na-2H]- 280.11011 161.7
[M]+ 259.13489 168.0
[M]- 259.13599 168.0
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