CID 57241450

Benzyl azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11(12-7-4-8-12)14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChIKey
WXOQIRHYGZFGBS-UHFFFAOYSA-N
Compound name
benzyl azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

191.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.0
[M+Na]+ 214.08386 143.1
[M-H]- 190.08736 142.7
[M+NH4]+ 209.12846 149.5
[M+K]+ 230.05780 144.7
[M+H-H2O]+ 174.09190 125.5
[M+HCOO]- 236.09284 158.6
[M+CH3COO]- 250.10849 184.2
[M+Na-2H]- 212.06931 143.8
[M]+ 191.09409 146.3
[M]- 191.09519 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe