CID 165888815

Methyl 2-(3-phenylazetidin-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)CC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-11(14)7-12(8-13-9-12)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKey
MVYXFRGFXABURJ-UHFFFAOYSA-N
Compound name
methyl 2-(3-phenylazetidin-3-yl)acetate
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 146.3
[M+Na]+ 228.09950 151.4
[M-H]- 204.10300 149.9
[M+NH4]+ 223.14410 158.4
[M+K]+ 244.07344 151.9
[M+H-H2O]+ 188.10754 134.8
[M+HCOO]- 250.10848 165.0
[M+CH3COO]- 264.12413 184.8
[M+Na-2H]- 226.08495 151.8
[M]+ 205.10973 153.4
[M]- 205.11083 153.4
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.