CID 155819911

2470440-57-2

Structural Information

Molecular Formula
C6H9NO3
SMILES
COC(=O)C1(CC(=O)C1)N
InChI
InChI=1S/C6H9NO3/c1-10-5(9)6(7)2-4(8)3-6/h2-3,7H2,1H3
InChIKey
QRASXYTXILNCBM-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-oxocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 132.2
[M+Na]+ 166.04746 136.6
[M+NH4]+ 161.09206 136.5
[M+K]+ 182.02140 133.2
[M-H]- 142.05096 129.4
[M+Na-2H]- 164.03291 134.3
[M]+ 143.05769 130.6
[M]- 143.05879 130.6
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.