CID 252897

Ethyl 3-hydrazino-3-oxopropionate

Structural Information

Molecular Formula
C5H10N2O3
SMILES
CCOC(=O)CC(=O)NN
InChI
InChI=1S/C5H10N2O3/c1-2-10-5(9)3-4(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKey
HCPOCMMGKBZWSJ-UHFFFAOYSA-N
Compound name
ethyl 3-hydrazinyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13940
Patents

146.06914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.076416 129.7
[M+Na]+ 169.058358 135.8
[M-H]- 145.061864 129.7
[M+NH4]+ 164.102963 150.1
[M+K]+ 185.032298 136.5
[M+H-H2O]+ 129.066400 124.2
[M+HCOO]- 191.067341 154.4
[M+CH3COO]- 205.082991 177.8
[M+Na-2H]- 167.043806 134.0
[M]+ 146.06859142 129.3
[M]- 146.06968858 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe