CID 3051927

Phenol, 3,5-dimethyl-2-(piperidinomethyl)-

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1=CC(=C(C(=C1)O)CN2CCCCC2)C
InChI
InChI=1S/C14H21NO/c1-11-8-12(2)13(14(16)9-11)10-15-6-4-3-5-7-15/h8-9,16H,3-7,10H2,1-2H3
InChIKey
SIIMBZQKKVAQGS-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-(piperidin-1-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 152.3
[M+Na]+ 242.151528 158.2
[M-H]- 218.155034 155.8
[M+NH4]+ 237.196133 169.0
[M+K]+ 258.125468 154.5
[M+H-H2O]+ 202.159570 144.8
[M+HCOO]- 264.160511 169.8
[M+CH3COO]- 278.176161 188.5
[M+Na-2H]- 240.136976 154.8
[M]+ 219.16176142 148.3
[M]- 219.16285858 148.3
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

patents stripe