CID 9837865

1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCC(C1=CC(=CC=C1)OC)(C(C)CN(C)C)O
InChI
InChI=1S/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3
InChIKey
PZNRRUTVGXCKFC-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

858
Patents

251.18852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 161.9
[M+Na]+ 274.177738 166.6
[M-H]- 250.181244 165.1
[M+NH4]+ 269.222343 179.0
[M+K]+ 290.151678 165.8
[M+H-H2O]+ 234.185780 155.5
[M+HCOO]- 296.186721 182.4
[M+CH3COO]- 310.202371 201.6
[M+Na-2H]- 272.163186 164.8
[M]+ 251.18797142 164.8
[M]- 251.18906858 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe