CID 3079587

126088-60-6

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCN1CCCC(C1)C2=CC(=C(C=C2)C)O
InChI
InChI=1S/C15H23NO/c1-3-8-16-9-4-5-14(11-16)13-7-6-12(2)15(17)10-13/h6-7,10,14,17H,3-5,8-9,11H2,1-2H3
InChIKey
ZWWFABBYYRBHFA-UHFFFAOYSA-N
Compound name
2-methyl-5-(1-propylpiperidin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 156.9
[M+Na]+ 256.167178 162.3
[M-H]- 232.170684 160.2
[M+NH4]+ 251.211783 173.0
[M+K]+ 272.141118 158.4
[M+H-H2O]+ 216.175220 149.2
[M+HCOO]- 278.176161 174.0
[M+CH3COO]- 292.191811 191.5
[M+Na-2H]- 254.152626 158.8
[M]+ 233.17741142 153.2
[M]- 233.17850858 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.