CID 22326306

2-amino-3,4-dihydroxypentanedioic acid

Structural Information

Molecular Formula
C5H9NO6
SMILES
C(C(C(=O)O)N)(C(C(=O)O)O)O
InChI
InChI=1S/C5H9NO6/c6-1(4(9)10)2(7)3(8)5(11)12/h1-3,7-8H,6H2,(H,9,10)(H,11,12)
InChIKey
SODSBJHVKSGOIZ-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydroxypentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

179.04298 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05026 135.7
[M+Na]+ 202.03220 139.8
[M-H]- 178.03570 130.0
[M+NH4]+ 197.07680 151.4
[M+K]+ 218.00614 140.3
[M+H-H2O]+ 162.04024 130.8
[M+HCOO]- 224.04118 150.9
[M+CH3COO]- 238.05683 174.5
[M+Na-2H]- 200.01765 133.9
[M]+ 179.04243 131.0
[M]- 179.04353 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe