CID 71301394

94326-19-9

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCC1CCCN(C1C2=CC(=CC=C2)O)C
InChI
InChI=1S/C15H23NO/c1-3-6-12-8-5-10-16(2)15(12)13-7-4-9-14(17)11-13/h4,7,9,11-12,15,17H,3,5-6,8,10H2,1-2H3
InChIKey
LTHYIIVZROLNOV-UHFFFAOYSA-N
Compound name
3-(1-methyl-3-propylpiperidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 156.9
[M+Na]+ 256.16718 162.3
[M-H]- 232.17068 160.2
[M+NH4]+ 251.21178 173.0
[M+K]+ 272.14112 158.4
[M+H-H2O]+ 216.17522 149.2
[M+HCOO]- 278.17616 174.0
[M+CH3COO]- 292.19181 191.5
[M+Na-2H]- 254.15263 158.8
[M]+ 233.17741 153.2
[M]- 233.17851 153.2
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

No patent data available for this compound.