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 128.3
[M+Na]+ 166.04746 134.6
[M-H]- 142.05096 131.8
[M+NH4]+ 161.09206 144.5
[M+K]+ 182.02140 137.8
[M+H-H2O]+ 126.05550 119.1
[M+HCOO]- 188.05644 150.5
[M+CH3COO]- 202.07209 177.9
[M+Na-2H]- 164.03291 133.2
[M]+ 143.05769 136.2
[M]- 143.05879 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.