CID 71432941

2-(3-aminooxetan-3-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1C(CO1)(CC(=O)O)N
InChI
InChI=1S/C5H9NO3/c6-5(1-4(7)8)2-9-3-5/h1-3,6H2,(H,7,8)
InChIKey
JWDQOMXRJMVQIQ-UHFFFAOYSA-N
Compound name
2-(3-aminooxetan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

131.05824 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 128.5
[M+Na]+ 154.04746 132.4
[M+NH4]+ 149.09206 132.7
[M+K]+ 170.02140 129.8
[M-H]- 130.05096 126.7
[M+Na-2H]- 152.03291 130.2
[M]+ 131.05769 127.1
[M]- 131.05879 127.1
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