CID 82593811

1526540-96-4

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1C(CO1)(CN)C(=O)O
InChI
InChI=1S/C5H9NO3/c6-1-5(4(7)8)2-9-3-5/h1-3,6H2,(H,7,8)
InChIKey
FMENSXXKJICSDN-UHFFFAOYSA-N
Compound name
3-(aminomethyl)oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05824 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 125.5
[M+Na]+ 154.04746 130.5
[M-H]- 130.05096 128.0
[M+NH4]+ 149.09206 140.0
[M+K]+ 170.02140 134.6
[M+H-H2O]+ 114.05550 116.2
[M+HCOO]- 176.05644 145.5
[M+CH3COO]- 190.07209 172.9
[M+Na-2H]- 152.03291 132.1
[M]+ 131.05769 132.2
[M]- 131.05879 132.2
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

No patent data available for this compound.