CID 206736

28646-20-0

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CCNC(CC(=O)O)C(=O)N(CC)CC
InChI
InChI=1S/C10H20N2O3/c1-4-11-8(7-9(13)14)10(15)12(5-2)6-3/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKey
JNIXUGMULXYOBP-UHFFFAOYSA-N
Compound name
4-(diethylamino)-3-(ethylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1474 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 153.2
[M+Na]+ 239.136618 156.7
[M-H]- 215.140124 153.0
[M+NH4]+ 234.181223 170.9
[M+K]+ 255.110558 157.6
[M+H-H2O]+ 199.144660 147.0
[M+HCOO]- 261.145601 174.9
[M+CH3COO]- 275.161251 196.1
[M+Na-2H]- 237.122066 153.5
[M]+ 216.14685142 154.6
[M]- 216.14794858 154.6
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

No patent data available for this compound.