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]+ 262.216536 165.9
[M+Na]+ 284.198478 169.0
[M-H]- 260.201984 168.6
[M+NH4]+ 279.243083 180.4
[M+K]+ 300.172418 165.5
[M+H-H2O]+ 244.206520 157.9
[M+HCOO]- 306.207461 180.3
[M+CH3COO]- 320.223111 198.1
[M+Na-2H]- 282.183926 165.1
[M]+ 261.20871142 161.4
[M]- 261.20980858 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.