CID 93506

Oxetin

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1[C@@H]([C@@H](O1)C(=O)O)N
InChI
InChI=1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3+/m0/s1
InChIKey
UTIYGJDWWLIDQY-STHAYSLISA-N
Compound name
(2R,3S)-3-aminooxetane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

74
Patents

117.042595 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04987 119.8
[M+Na]+ 140.03181 125.1
[M-H]- 116.03532 122.4
[M+NH4]+ 135.07642 133.1
[M+K]+ 156.00575 129.4
[M+H-H2O]+ 100.03986 109.4
[M+HCOO]- 162.04080 140.1
[M+CH3COO]- 176.05645 171.5
[M+Na-2H]- 138.01726 125.1
[M]+ 117.04205 126.1
[M]- 117.04314 126.1
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