CID 129318511

4-[(1rs)-2-(tert-butylamino)-1-hydroxyethyl]-2-ethylphenol hydrobromide

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCC1=C(C=CC(=C1)C(CNC(C)(C)C)O)O
InChI
InChI=1S/C14H23NO2/c1-5-10-8-11(6-7-12(10)16)13(17)9-15-14(2,3)4/h6-8,13,15-17H,5,9H2,1-4H3
InChIKey
STAMRGUKAGIKSI-UHFFFAOYSA-N
Compound name
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-ethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 158.1
[M+Na]+ 260.162098 163.7
[M-H]- 236.165604 159.0
[M+NH4]+ 255.206703 174.8
[M+K]+ 276.136038 160.8
[M+H-H2O]+ 220.170140 152.6
[M+HCOO]- 282.171081 176.9
[M+CH3COO]- 296.186731 193.2
[M+Na-2H]- 258.147546 161.0
[M]+ 237.17233142 157.7
[M]- 237.17342858 157.7
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

No patent data available for this compound.