CID 12812501

3-phenoxyazetidine hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CN1)OC2=CC=CC=C2
InChI
InChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKey
CCDAHKDEKOTDGR-UHFFFAOYSA-N
Compound name
3-phenoxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

149.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 126.1
[M+Na]+ 172.07328 131.7
[M-H]- 148.07678 129.6
[M+NH4]+ 167.11788 138.6
[M+K]+ 188.04722 132.4
[M+H-H2O]+ 132.08132 114.3
[M+HCOO]- 194.08226 146.5
[M+CH3COO]- 208.09791 175.2
[M+Na-2H]- 170.05873 133.8
[M]+ 149.08351 131.9
[M]- 149.08461 131.9
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