CID 118243

35493-94-8

Structural Information

Molecular Formula
C23H29N
SMILES
C1CC(C1)CN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)22-14-16-24(17-15-22)18-19-8-7-9-19/h1-6,10-13,19,22-23H,7-9,14-18H2
InChIKey
YCXGVQATDFLKMG-UHFFFAOYSA-N
Compound name
4-benzhydryl-1-(cyclobutylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 174.3
[M+Na]+ 342.21922 174.8
[M-H]- 318.22272 182.6
[M+NH4]+ 337.26382 179.6
[M+K]+ 358.19316 172.4
[M+H-H2O]+ 302.22726 158.2
[M+HCOO]- 364.22820 188.7
[M+CH3COO]- 378.24385 182.1
[M+Na-2H]- 340.20467 175.0
[M]+ 319.22945 175.4
[M]- 319.23055 175.4
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

No patent data available for this compound.