CID 46937121

(2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine

Structural Information

Molecular Formula
C18H29N
SMILES
C[C@H](C[C@@H]1CCCCN1C)C[C@@H](C)C2=CC=CC=C2
InChI
InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKey
UEEAJOUBQAEABH-JZXOWHBKSA-N
Compound name
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.23 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.23728 167.0
[M+Na]+ 282.21922 169.1
[M-H]- 258.22272 170.4
[M+NH4]+ 277.26382 182.0
[M+K]+ 298.19316 165.7
[M+H-H2O]+ 242.22726 158.3
[M+HCOO]- 304.22820 182.3
[M+CH3COO]- 318.24385 200.5
[M+Na-2H]- 280.20467 166.8
[M]+ 259.22945 162.8
[M]- 259.23055 162.8
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.