CID 26348

4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=C(C=CC(=C1)C(CC(C)N)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H21NO2/c1-11-9-14(5-8-17(11)20)16(10-12(2)18)13-3-6-15(19)7-4-13/h3-9,12,16,19-20H,10,18H2,1-2H3
InChIKey
QQXUACLYCIWJIU-UHFFFAOYSA-N
Compound name
4-[3-amino-1-(4-hydroxyphenyl)butyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 165.5
[M+Na]+ 294.14645 171.2
[M-H]- 270.14995 169.2
[M+NH4]+ 289.19105 180.0
[M+K]+ 310.12039 166.8
[M+H-H2O]+ 254.15449 158.3
[M+HCOO]- 316.15543 184.6
[M+CH3COO]- 330.17108 199.8
[M+Na-2H]- 292.13190 165.7
[M]+ 271.15668 163.0
[M]- 271.15778 163.0
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

No patent data available for this compound.