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]+ 144.065516 128.3
[M+Na]+ 166.047458 134.6
[M-H]- 142.050964 131.8
[M+NH4]+ 161.092063 144.5
[M+K]+ 182.021398 137.8
[M+H-H2O]+ 126.055500 119.1
[M+HCOO]- 188.056441 150.5
[M+CH3COO]- 202.072091 177.9
[M+Na-2H]- 164.032906 133.2
[M]+ 143.05769142 136.2
[M]- 143.05878858 136.2
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.