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

0
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.143376 149.7
[M+Na]+ 246.125318 155.1
[M-H]- 222.128824 156.1
[M+NH4]+ 241.169923 161.0
[M+K]+ 262.099258 152.9
[M+H-H2O]+ 206.133360 136.8
[M+HCOO]- 268.134301 169.1
[M+CH3COO]- 282.149951 160.9
[M+Na-2H]- 244.110766 157.0
[M]+ 223.13555142 154.3
[M]- 223.13664858 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.