CID 84082089

2241129-79-1

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C(C1CNC1)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11(10-7-13-8-10)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKey
UCVCYRMAFCPAGF-UHFFFAOYSA-N
Compound name
methyl 2-(azetidin-3-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.2
[M+Na]+ 228.09950 152.7
[M+NH4]+ 223.14410 149.7
[M+K]+ 244.07344 149.4
[M-H]- 204.10300 145.2
[M+Na-2H]- 226.08495 149.9
[M]+ 205.10973 145.4
[M]- 205.11083 145.4
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.