CID 3726144

1-(diethylamino)-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C8H19NO2
SMILES
CCN(CC)CC(COC)O
InChI
InChI=1S/C8H19NO2/c1-4-9(5-2)6-8(10)7-11-3/h8,10H,4-7H2,1-3H3
InChIKey
SDQREAYLIQQDLB-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

161.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.148866 139.4
[M+Na]+ 184.130808 144.4
[M-H]- 160.134314 139.3
[M+NH4]+ 179.175413 160.0
[M+K]+ 200.104748 145.5
[M+H-H2O]+ 144.138850 134.0
[M+HCOO]- 206.139791 162.0
[M+CH3COO]- 220.155441 183.7
[M+Na-2H]- 182.116256 143.0
[M]+ 161.14104142 142.2
[M]- 161.14213858 142.2
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