CID 72207629

1363383-31-6

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(=O)C1(COC1)N
InChI
InChI=1S/C5H9NO3/c1-8-4(7)5(6)2-9-3-5/h2-3,6H2,1H3
InChIKey
UPNLQRIRTAHAGA-UHFFFAOYSA-N
Compound name
methyl 3-aminooxetane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

131.05824 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 123.9
[M+Na]+ 154.047458 129.4
[M-H]- 130.050964 127.9
[M+NH4]+ 149.092063 139.2
[M+K]+ 170.021398 134.4
[M+H-H2O]+ 114.055500 114.5
[M+HCOO]- 176.056441 145.5
[M+CH3COO]- 190.072091 174.7
[M+Na-2H]- 152.032906 131.2
[M]+ 131.05769142 132.4
[M]- 131.05878858 132.4
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