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

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 146.0
[M+Na]+ 246.125318 151.7
[M-H]- 222.128824 153.5
[M+NH4]+ 241.169923 156.3
[M+K]+ 262.099258 150.3
[M+H-H2O]+ 206.133360 132.3
[M+HCOO]- 268.134301 166.8
[M+CH3COO]- 282.149951 157.8
[M+Na-2H]- 244.110766 152.4
[M]+ 223.13555142 152.4
[M]- 223.13664858 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