CID 115023992

Methyl3-amino-1-phenylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1(CC(C1)N)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-11(14)12(7-10(13)8-12)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3
InChIKey
CFVSIHRDYVWSMA-UHFFFAOYSA-N
Compound name
methyl 3-amino-1-phenylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.4
[M+Na]+ 228.09950 154.0
[M+NH4]+ 223.14410 152.9
[M+K]+ 244.07344 148.4
[M-H]- 204.10300 148.0
[M+Na-2H]- 226.08495 152.9
[M]+ 205.10973 147.3
[M]- 205.11083 147.3
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.