CID 214252

27922-35-6

Structural Information

Molecular Formula
C17H27NO
SMILES
CC1=CC(=C(C=C1)C(C(C)CN2CCCCC2)O)C
InChI
InChI=1S/C17H27NO/c1-13-7-8-16(14(2)11-13)17(19)15(3)12-18-9-5-4-6-10-18/h7-8,11,15,17,19H,4-6,9-10,12H2,1-3H3
InChIKey
BWRHFSCPLFPLMH-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 165.9
[M+Na]+ 284.19848 169.0
[M-H]- 260.20198 168.6
[M+NH4]+ 279.24308 180.4
[M+K]+ 300.17242 165.5
[M+H-H2O]+ 244.20652 157.9
[M+HCOO]- 306.20746 180.3
[M+CH3COO]- 320.22311 198.1
[M+Na-2H]- 282.18393 165.1
[M]+ 261.20871 161.4
[M]- 261.20981 161.4
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.