CID 3032846

Dl-n-ethylaspartic acid, 4-methyl ester

Structural Information

Molecular Formula
C7H13NO4
SMILES
CCN[C@@H](CC(=O)OC)C(=O)O
InChI
InChI=1S/C7H13NO4/c1-3-8-5(7(10)11)4-6(9)12-2/h5,8H,3-4H2,1-2H3,(H,10,11)/t5-/m0/s1
InChIKey
IKIUGJPKPVKLFC-YFKPBYRVSA-N
Compound name
(2S)-2-(ethylamino)-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.08446 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.3
[M+Na]+ 198.07368 144.9
[M+NH4]+ 193.11828 143.3
[M+K]+ 214.04762 142.8
[M-H]- 174.07718 135.2
[M+Na-2H]- 196.05913 138.9
[M]+ 175.08391 137.7
[M]- 175.08501 137.7
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.