CID 550781

1,2,5-trimethyl-4-(4-methylbenzyl)-4-piperidinol

Structural Information

Molecular Formula
C16H25NO
SMILES
CC1CC(C(CN1C)C)(CC2=CC=C(C=C2)C)O
InChI
InChI=1S/C16H25NO/c1-12-5-7-15(8-6-12)10-16(18)9-14(3)17(4)11-13(16)2/h5-8,13-14,18H,9-11H2,1-4H3
InChIKey
PPFGJYUAWQBXHF-UHFFFAOYSA-N
Compound name
1,2,5-trimethyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 159.7
[M+Na]+ 270.182838 166.8
[M-H]- 246.186344 163.7
[M+NH4]+ 265.227443 177.7
[M+K]+ 286.156778 163.0
[M+H-H2O]+ 230.190880 152.9
[M+HCOO]- 292.191821 176.6
[M+CH3COO]- 306.207471 195.3
[M+Na-2H]- 268.168286 161.7
[M]+ 247.19307142 157.3
[M]- 247.19416858 157.3
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

No patent data available for this compound.