CID 71304118

Azetidin-3-yl(phenyl)methanone hydrochloride

Structural Information

Molecular Formula
C10H11NO
SMILES
C1C(CN1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c12-10(9-6-11-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey
PQYNJIDNMNODOE-UHFFFAOYSA-N
Compound name
azetidin-3-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.8
[M+Na]+ 184.07328 136.9
[M-H]- 160.07678 135.3
[M+NH4]+ 179.11788 143.7
[M+K]+ 200.04722 137.2
[M+H-H2O]+ 144.08132 119.8
[M+HCOO]- 206.08226 151.0
[M+CH3COO]- 220.09791 178.1
[M+Na-2H]- 182.05873 137.6
[M]+ 161.08351 136.6
[M]- 161.08461 136.6
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

patents stripe