CID 15346092

Dtxsid201028380

Structural Information

Molecular Formula
C14H23NO2
SMILES
CCOC1=C(C=CC(=C1)C(C)(C)C)C(CO)N
InChI
InChI=1S/C14H23NO2/c1-5-17-13-8-10(14(2,3)4)6-7-11(13)12(15)9-16/h6-8,12,16H,5,9,15H2,1-4H3
InChIKey
LOGSAUNKXYILQB-UHFFFAOYSA-N
Compound name
2-amino-2-(4-tert-butyl-2-ethoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

8
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 158.2
[M+Na]+ 260.162098 164.2
[M-H]- 236.165604 160.0
[M+NH4]+ 255.206703 175.3
[M+K]+ 276.136038 161.9
[M+H-H2O]+ 220.170140 152.5
[M+HCOO]- 282.171081 177.9
[M+CH3COO]- 296.186731 195.0
[M+Na-2H]- 258.147546 160.5
[M]+ 237.17233142 158.7
[M]- 237.17342858 158.7
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