CID 3025116

1-(1-phenylcycloheptyl)piperidine hydrobromide

Structural Information

Molecular Formula
C18H27N
SMILES
C1CCCC(CC1)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C18H27N/c1-2-8-14-18(13-7-1,17-11-5-3-6-12-17)19-15-9-4-10-16-19/h3,5-6,11-12H,1-2,4,7-10,13-16H2
InChIKey
OLMVIGSBFHLRAY-UHFFFAOYSA-N
Compound name
1-(1-phenylcycloheptyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 165.1
[M+Na]+ 280.20358 164.8
[M-H]- 256.20708 171.6
[M+NH4]+ 275.24818 179.8
[M+K]+ 296.17752 164.0
[M+H-H2O]+ 240.21162 155.9
[M+HCOO]- 302.21256 178.9
[M+CH3COO]- 316.22821 173.2
[M+Na-2H]- 278.18903 167.3
[M]+ 257.21381 152.2
[M]- 257.21491 152.2
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