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]+ 217.15468 153.2
[M+Na]+ 239.13662 156.7
[M-H]- 215.14012 153.0
[M+NH4]+ 234.18122 170.9
[M+K]+ 255.11056 157.6
[M+H-H2O]+ 199.14466 147.0
[M+HCOO]- 261.14560 174.9
[M+CH3COO]- 275.16125 196.1
[M+Na-2H]- 237.12207 153.5
[M]+ 216.14685 154.6
[M]- 216.14795 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.