CID 15024256

3-aminooxetane-3-carboxylic acid

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1C(CO1)(C(=O)O)N
InChI
InChI=1S/C4H7NO3/c5-4(3(6)7)1-8-2-4/h1-2,5H2,(H,6,7)
InChIKey
LXRNYRAHXDUNKR-UHFFFAOYSA-N
Compound name
3-aminooxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

117.042595 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 120.8
[M+Na]+ 140.031813 126.2
[M-H]- 116.035319 123.5
[M+NH4]+ 135.076418 135.9
[M+K]+ 156.005753 130.5
[M+H-H2O]+ 100.039855 111.7
[M+HCOO]- 162.040796 141.2
[M+CH3COO]- 176.056446 169.9
[M+Na-2H]- 138.017261 128.0
[M]+ 117.04204642 127.2
[M]- 117.04314358 127.2
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

patents stripe