CID 90033

Erythro-3-aminoaspartic acid

Structural Information

Molecular Formula
C4H8N2O4
SMILES
[C@@H]([C@@H](C(=O)O)N)(C(=O)O)N
InChI
InChI=1S/C4H8N2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H,7,8)(H,9,10)/t1-,2+
InChIKey
PGNYNCTUBKSHHL-XIXRPRMCSA-N
Compound name
(2R,3S)-2,3-diaminobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1603
Patents

148.0484 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.055676 129.6
[M+Na]+ 171.037618 134.5
[M-H]- 147.041124 126.3
[M+NH4]+ 166.082223 147.6
[M+K]+ 187.011558 134.9
[M+H-H2O]+ 131.045660 124.4
[M+HCOO]- 193.046601 149.0
[M+CH3COO]- 207.062251 175.1
[M+Na-2H]- 169.023066 129.6
[M]+ 148.04785142 124.2
[M]- 148.04894858 124.2
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