CID 165588415

2-hydroxy-2-(3-hydroxyazetidin-3-yl)acetic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
C1C(CN1)(C(C(=O)O)O)O
InChI
InChI=1S/C5H9NO4/c7-3(4(8)9)5(10)1-6-2-5/h3,6-7,10H,1-2H2,(H,8,9)
InChIKey
SCAZRPIZASLVCS-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(3-hydroxyazetidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.05316 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 134.4
[M+Na]+ 170.042378 138.5
[M-H]- 146.045884 131.2
[M+NH4]+ 165.086983 146.4
[M+K]+ 186.016318 140.4
[M+H-H2O]+ 130.050420 125.0
[M+HCOO]- 192.051361 148.3
[M+CH3COO]- 206.067011 167.1
[M+Na-2H]- 168.027826 137.6
[M]+ 147.05261142 138.0
[M]- 147.05370858 138.0
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

No patent data available for this compound.