CID 23638

3,3-diphenylazetidine

Structural Information

Molecular Formula
C15H15N
SMILES
C1C(CN1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H15N/c1-3-7-13(8-4-1)15(11-16-12-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKey
IWLFFEFWBYZAAI-UHFFFAOYSA-N
Compound name
3,3-diphenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 145.2
[M+Na]+ 232.10967 151.0
[M-H]- 208.11317 151.7
[M+NH4]+ 227.15427 157.0
[M+K]+ 248.08361 149.0
[M+H-H2O]+ 192.11771 132.4
[M+HCOO]- 254.11865 164.9
[M+CH3COO]- 268.13430 156.8
[M+Na-2H]- 230.09512 153.0
[M]+ 209.11990 149.4
[M]- 209.12100 149.4
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