CID 2802895

1-(diphenylmethyl)azetidine

Structural Information

Molecular Formula
C16H17N
SMILES
C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-3-8-14(9-4-1)16(17-12-7-13-17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKey
AZHWVHNIAGJINK-UHFFFAOYSA-N
Compound name
1-benzhydrylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

285
Patents

223.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 147.2
[M+Na]+ 246.12532 151.6
[M-H]- 222.12882 154.4
[M+NH4]+ 241.16992 157.0
[M+K]+ 262.09926 150.7
[M+H-H2O]+ 206.13336 133.3
[M+HCOO]- 268.13430 167.0
[M+CH3COO]- 282.14995 158.5
[M+Na-2H]- 244.11077 153.0
[M]+ 223.13555 152.6
[M]- 223.13665 152.6
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