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]+ 238.18016 158.1
[M+Na]+ 260.16210 163.7
[M-H]- 236.16560 159.0
[M+NH4]+ 255.20670 174.8
[M+K]+ 276.13604 160.8
[M+H-H2O]+ 220.17014 152.6
[M+HCOO]- 282.17108 176.9
[M+CH3COO]- 296.18673 193.2
[M+Na-2H]- 258.14755 161.0
[M]+ 237.17233 157.7
[M]- 237.17343 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.