CID 23631

1-benzyl-3-phenylazetidine

Structural Information

Molecular Formula
C16H17N
SMILES
C1C(CN1CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-3-7-14(8-4-1)11-17-12-16(13-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey
DCZMBHDGZSZFKA-UHFFFAOYSA-N
Compound name
1-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 146.0
[M+Na]+ 246.12532 151.7
[M-H]- 222.12882 153.5
[M+NH4]+ 241.16992 156.3
[M+K]+ 262.09926 150.3
[M+H-H2O]+ 206.13336 132.3
[M+HCOO]- 268.13430 166.8
[M+CH3COO]- 282.14995 157.8
[M+Na-2H]- 244.11077 152.4
[M]+ 223.13555 152.4
[M]- 223.13665 152.4
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