CID 43128017

[3-(tert-butoxy)-2-hydroxypropyl](methyl)amine

Structural Information

Molecular Formula
C8H19NO2
SMILES
CC(C)(C)OCC(CNC)O
InChI
InChI=1S/C8H19NO2/c1-8(2,3)11-6-7(10)5-9-4/h7,9-10H,5-6H2,1-4H3
InChIKey
ZFHHVHFZHNMFDH-UHFFFAOYSA-N
Compound name
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

161.14159 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.148866 139.3
[M+Na]+ 184.130808 144.7
[M-H]- 160.134314 138.1
[M+NH4]+ 179.175413 159.4
[M+K]+ 200.104748 144.8
[M+H-H2O]+ 144.138850 134.8
[M+HCOO]- 206.139791 159.9
[M+CH3COO]- 220.155441 179.8
[M+Na-2H]- 182.116256 144.4
[M]+ 161.14104142 140.3
[M]- 161.14213858 140.3
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

patents stripe