CID 2731947

4-{[3-(diethylamino)propyl]amino}-4-oxobut-2-enoic acid

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CCN(CC)CCCNC(=O)C=CC(=O)O
InChI
InChI=1S/C11H20N2O3/c1-3-13(4-2)9-5-8-12-10(14)6-7-11(15)16/h6-7H,3-5,8-9H2,1-2H3,(H,12,14)(H,15,16)
InChIKey
SNAWIFGTVBOMDL-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)propylamino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

228.1474 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.154676 156.0
[M+Na]+ 251.136618 159.6
[M-H]- 227.140124 155.6
[M+NH4]+ 246.181223 173.3
[M+K]+ 267.110558 159.1
[M+H-H2O]+ 211.144660 149.6
[M+HCOO]- 273.145601 178.5
[M+CH3COO]- 287.161251 196.6
[M+Na-2H]- 249.122066 157.1
[M]+ 228.14685142 157.6
[M]- 228.14794858 157.6
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

No patent data available for this compound.