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 145.7
[M+Na]+ 228.09950 149.4
[M-H]- 204.10300 148.8
[M+NH4]+ 223.14410 155.6
[M+K]+ 244.07344 150.4
[M+H-H2O]+ 188.10754 133.0
[M+HCOO]- 250.10848 163.3
[M+CH3COO]- 264.12413 186.1
[M+Na-2H]- 226.08495 148.9
[M]+ 205.10973 151.8
[M]- 205.11083 151.8
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.