CID 511485

1-((1,1-dimethylethyl)amino)-3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-2-propanol maleate

Structural Information

Molecular Formula
C17H35NO2
SMILES
CC1CCC(C(C1)OCC(CNC(C)(C)C)O)C(C)C
InChI
InChI=1S/C17H35NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h12-16,18-19H,7-11H2,1-6H3
InChIKey
URMJPEDTGXJUMD-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.26678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.27406 175.3
[M+Na]+ 308.25600 176.7
[M-H]- 284.25950 175.9
[M+NH4]+ 303.30060 190.4
[M+K]+ 324.22994 175.3
[M+H-H2O]+ 268.26404 169.4
[M+HCOO]- 330.26498 189.2
[M+CH3COO]- 344.28063 206.8
[M+Na-2H]- 306.24145 173.1
[M]+ 285.26623 173.0
[M]- 285.26733 173.0
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.