CID 26348

13957-35-2

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

9
Patents

271.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 165.5
[M+Na]+ 294.146448 171.2
[M-H]- 270.149954 169.2
[M+NH4]+ 289.191053 180.0
[M+K]+ 310.120388 166.8
[M+H-H2O]+ 254.154490 158.3
[M+HCOO]- 316.155431 184.6
[M+CH3COO]- 330.171081 199.8
[M+Na-2H]- 292.131896 165.7
[M]+ 271.15668142 163.0
[M]- 271.15777858 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

patents stripe