CID 11989046

(2r,3s)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC[C@@](C1=CC(=CC=C1)OC)([C@H](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/t12-,15+/m1/s1
InChIKey
PZNRRUTVGXCKFC-DOMZBBRYSA-N
Compound name
(2R,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

874
Patents

251.18852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 161.9
[M+Na]+ 274.17774 166.6
[M-H]- 250.18124 165.1
[M+NH4]+ 269.22234 179.0
[M+K]+ 290.15168 165.8
[M+H-H2O]+ 234.18578 155.5
[M+HCOO]- 296.18672 182.4
[M+CH3COO]- 310.20237 201.6
[M+Na-2H]- 272.16319 164.8
[M]+ 251.18797 164.8
[M]- 251.18907 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

No literature data available for this compound.

Patent stripe

patents stripe