CID 23640

3-benzyl-3-phenylazetidine

Structural Information

Molecular Formula
C16H17N
SMILES
C1C(CN1)(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-3-7-14(8-4-1)11-16(12-17-13-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2
InChIKey
IHYUPPBWXMLCAB-UHFFFAOYSA-N
Compound name
3-benzyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 149.7
[M+Na]+ 246.12532 155.1
[M-H]- 222.12882 156.1
[M+NH4]+ 241.16992 161.0
[M+K]+ 262.09926 152.9
[M+H-H2O]+ 206.13336 136.8
[M+HCOO]- 268.13430 169.1
[M+CH3COO]- 282.14995 160.9
[M+Na-2H]- 244.11077 157.0
[M]+ 223.13555 154.3
[M]- 223.13665 154.3
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.