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]+ 250.216536 164.1
[M+Na]+ 272.198478 168.4
[M-H]- 248.201984 165.7
[M+NH4]+ 267.243083 180.8
[M+K]+ 288.172418 165.3
[M+H-H2O]+ 232.206520 157.9
[M+HCOO]- 294.207461 183.5
[M+CH3COO]- 308.223111 198.4
[M+Na-2H]- 270.183926 167.0
[M]+ 249.20871142 164.5
[M]- 249.20980858 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.