CID 452017

74644-88-5

Structural Information

Molecular Formula
C5H9NO4
SMILES
C1[C@H]([C@@H]([C@H](N1)C(=O)O)O)O
InChI
InChI=1S/C5H9NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-4,6-8H,1H2,(H,9,10)/t2-,3+,4+/m1/s1
InChIKey
HWNGLKPRXKKTPK-UZBSEBFBSA-N
Compound name
(2S,3R,4R)-3,4-dihydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

147.05316 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 129.2
[M+Na]+ 170.04238 136.0
[M-H]- 146.04588 126.2
[M+NH4]+ 165.08698 148.1
[M+K]+ 186.01632 134.0
[M+H-H2O]+ 130.05042 124.5
[M+HCOO]- 192.05136 145.5
[M+CH3COO]- 206.06701 163.3
[M+Na-2H]- 168.02783 130.6
[M]+ 147.05261 123.6
[M]- 147.05371 123.6
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