CID 71301273

94430-14-5

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC1C(CCN(C1C2=CC(=CC=C2)O)C)C
InChI
InChI=1S/C16H25NO/c1-4-6-15-12(2)9-10-17(3)16(15)13-7-5-8-14(18)11-13/h5,7-8,11-12,15-16,18H,4,6,9-10H2,1-3H3
InChIKey
HTXXLINLAIIQPN-UHFFFAOYSA-N
Compound name
3-(1,4-dimethyl-3-propylpiperidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 161.1
[M+Na]+ 270.182838 167.1
[M-H]- 246.186344 164.6
[M+NH4]+ 265.227443 177.0
[M+K]+ 286.156778 162.9
[M+H-H2O]+ 230.190880 153.5
[M+HCOO]- 292.191821 177.9
[M+CH3COO]- 306.207471 195.7
[M+Na-2H]- 268.168286 161.8
[M]+ 247.19307142 158.3
[M]- 247.19416858 158.3
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.