CID 165588415

En300-1628766

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]+ 148.06044 134.4
[M+Na]+ 170.04238 138.5
[M-H]- 146.04588 131.2
[M+NH4]+ 165.08698 146.4
[M+K]+ 186.01632 140.4
[M+H-H2O]+ 130.05042 125.0
[M+HCOO]- 192.05136 148.3
[M+CH3COO]- 206.06701 167.1
[M+Na-2H]- 168.02783 137.6
[M]+ 147.05261 138.0
[M]- 147.05371 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.