CID 90033

Meso-2,3-diaminosuccinic 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
1
Annotation Hits

0
References

202
Patents

148.0484 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05568 129.6
[M+Na]+ 171.03762 134.5
[M-H]- 147.04112 126.3
[M+NH4]+ 166.08222 147.6
[M+K]+ 187.01156 134.9
[M+H-H2O]+ 131.04566 124.4
[M+HCOO]- 193.04660 149.0
[M+CH3COO]- 207.06225 175.1
[M+Na-2H]- 169.02307 129.6
[M]+ 148.04785 124.2
[M]- 148.04895 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