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]+ 248.20090 161.1
[M+Na]+ 270.18284 167.1
[M-H]- 246.18634 164.6
[M+NH4]+ 265.22744 177.0
[M+K]+ 286.15678 162.9
[M+H-H2O]+ 230.19088 153.5
[M+HCOO]- 292.19182 177.9
[M+CH3COO]- 306.20747 195.7
[M+Na-2H]- 268.16829 161.8
[M]+ 247.19307 158.3
[M]- 247.19417 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.