CID 13818106

L-aspartic acid, n-acetyl-, dimethyl ester

Structural Information

Molecular Formula
C8H13NO5
SMILES
CC(=O)N[C@@H](CC(=O)OC)C(=O)OC
InChI
InChI=1S/C8H13NO5/c1-5(10)9-6(8(12)14-3)4-7(11)13-2/h6H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey
VRPXVQSXUIFMKQ-LURJTMIESA-N
Compound name
dimethyl (2S)-2-acetamidobutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.07938 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08666 143.0
[M+Na]+ 226.06860 148.6
[M-H]- 202.07210 143.3
[M+NH4]+ 221.11320 161.6
[M+K]+ 242.04254 150.4
[M+H-H2O]+ 186.07664 137.5
[M+HCOO]- 248.07758 165.1
[M+CH3COO]- 262.09323 187.0
[M+Na-2H]- 224.05405 144.5
[M]+ 203.07883 146.6
[M]- 203.07993 146.6
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

patents stripe