CID 139596372

Dtxsid701029383

Structural Information

Molecular Formula
C16H27NO
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CNCCO
InChI
InChI=1S/C16H27NO/c1-13(12-17-9-10-18)11-14-5-7-15(8-6-14)16(2,3)4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKey
OCZCNMRWDKYJBQ-UHFFFAOYSA-N
Compound name
2-[[3-(4-tert-butylphenyl)-2-methylpropyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.21654 164.1
[M+Na]+ 272.19848 168.4
[M-H]- 248.20198 165.7
[M+NH4]+ 267.24308 180.8
[M+K]+ 288.17242 165.3
[M+H-H2O]+ 232.20652 157.9
[M+HCOO]- 294.20746 183.5
[M+CH3COO]- 308.22311 198.4
[M+Na-2H]- 270.18393 167.0
[M]+ 249.20871 164.5
[M]- 249.20981 164.5
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.