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

4
Patents

203.127 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.134276 147.5
[M+Na]+ 226.116218 151.8
[M-H]- 202.119724 150.4
[M+NH4]+ 221.160823 166.8
[M+K]+ 242.090158 155.1
[M+H-H2O]+ 186.124260 140.6
[M+HCOO]- 248.125201 173.8
[M+CH3COO]- 262.140851 199.0
[M+Na-2H]- 224.101666 150.1
[M]+ 203.12645142 150.9
[M]- 203.12754858 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