CID 13670196

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

Structural Information

Molecular Formula
C8H17N3O3
SMILES
CNC(=O)N(CCC(=O)OC)N(C)C
InChI
InChI=1S/C8H17N3O3/c1-9-8(13)11(10(2)3)6-5-7(12)14-4/h5-6H2,1-4H3,(H,9,13)
InChIKey
ZPZWWHYMGCYHPI-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(methylcarbamoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.127 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13428 147.5
[M+Na]+ 226.11622 151.8
[M-H]- 202.11972 150.4
[M+NH4]+ 221.16082 166.8
[M+K]+ 242.09016 155.1
[M+H-H2O]+ 186.12426 140.6
[M+HCOO]- 248.12520 173.8
[M+CH3COO]- 262.14085 199.0
[M+Na-2H]- 224.10167 150.1
[M]+ 203.12645 150.9
[M]- 203.12755 150.9
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