CID 106822561

2219353-80-5

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC1CC(C1)(C(=O)OC)N
InChI
InChI=1S/C7H13NO3/c1-10-5-3-7(8,4-5)6(9)11-2/h5H,3-4,8H2,1-2H3
InChIKey
BPPGGKXAUDLITJ-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-methoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 134.1
[M+Na]+ 182.07876 139.7
[M-H]- 158.08226 137.4
[M+NH4]+ 177.12336 149.8
[M+K]+ 198.05270 143.3
[M+H-H2O]+ 142.08680 124.7
[M+HCOO]- 204.08774 155.9
[M+CH3COO]- 218.10339 181.7
[M+Na-2H]- 180.06421 138.5
[M]+ 159.08899 143.1
[M]- 159.09009 143.1
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.