CID 134495

Butoxamine

Structural Information

Molecular Formula
C15H25NO3
SMILES
C[C@@H]([C@@H](C1=C(C=CC(=C1)OC)OC)O)NC(C)(C)C
InChI
InChI=1S/C15H25NO3/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6/h7-10,14,16-17H,1-6H3/t10-,14-/m0/s1
InChIKey
TWUSDDMONZULSC-HZMBPMFUSA-N
Compound name
(1R,2S)-2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

234
References

2884
Patents

267.18344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 164.7
[M+Na]+ 290.17266 173.9
[M+NH4]+ 285.21726 170.9
[M+K]+ 306.14660 170.0
[M-H]- 266.17616 165.1
[M+Na-2H]- 288.15811 168.4
[M]+ 267.18289 165.9
[M]- 267.18399 165.9
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