CID 3914727

2-amino-3,4-dihydroxybutanoic acid

Structural Information

Molecular Formula
C4H9NO4
SMILES
C(C(C(C(=O)O)N)O)O
InChI
InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)
InChIKey
JBNUARFQOCGDRK-UHFFFAOYSA-N
Compound name
2-amino-3,4-dihydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

394
Patents

135.05316 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06044 127.3
[M+Na]+ 158.04238 132.6
[M-H]- 134.04588 123.1
[M+NH4]+ 153.08698 146.0
[M+K]+ 174.01632 132.5
[M+H-H2O]+ 118.05042 122.8
[M+HCOO]- 180.05136 145.7
[M+CH3COO]- 194.06701 167.7
[M+Na-2H]- 156.02783 128.9
[M]+ 135.05261 123.3
[M]- 135.05371 123.3
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