CID 3056530

73790-81-5

Structural Information

Molecular Formula
C16H25N
SMILES
CC(C)CC(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C16H25N/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3
InChIKey
QEABMSMLXZGZMD-UHFFFAOYSA-N
Compound name
1-(3-methyl-1-phenylbutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 158.3
[M+Na]+ 254.187918 160.3
[M-H]- 230.191424 161.7
[M+NH4]+ 249.232523 174.0
[M+K]+ 270.161858 157.4
[M+H-H2O]+ 214.195960 149.8
[M+HCOO]- 276.196901 174.3
[M+CH3COO]- 290.212551 193.5
[M+Na-2H]- 252.173366 159.8
[M]+ 231.19815142 152.9
[M]- 231.19924858 152.9
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