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]+ 162.14887 139.3
[M+Na]+ 184.13081 144.7
[M-H]- 160.13431 138.1
[M+NH4]+ 179.17541 159.4
[M+K]+ 200.10475 144.8
[M+H-H2O]+ 144.13885 134.8
[M+HCOO]- 206.13979 159.9
[M+CH3COO]- 220.15544 179.8
[M+Na-2H]- 182.11626 144.4
[M]+ 161.14104 140.3
[M]- 161.14214 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