CID 18026

Butaxamine

Structural Information

Molecular Formula

C₁₅H₂₅NO₃

SMILES

CC(C(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

InChIKey

TWUSDDMONZULSC-UHFFFAOYSA-N

Compound name

2-(tert-butylamino)-1-(2,5-dimethoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 227
References: 2570
Patents: 267.18344 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.190716	165.0
[M+Na]+	290.172658	170.2
[M-H]-	266.176164	167.2
[M+NH4]+	285.217263	181.0
[M+K]+	306.146598	169.2
[M+H-H2O]+	250.180700	158.9
[M+HCOO]-	312.181641	184.2
[M+CH3COO]-	326.197291	201.7
[M+Na-2H]-	288.158106	166.8
[M]+	267.18289142	167.7
[M]-	267.18398858	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe