CID 3726144

1-(diethylamino)-3-methoxy-2-propanol

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

30
Patents

161.14159 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.14887 139.4
[M+Na]+ 184.13081 144.4
[M-H]- 160.13431 139.3
[M+NH4]+ 179.17541 160.0
[M+K]+ 200.10475 145.5
[M+H-H2O]+ 144.13885 134.0
[M+HCOO]- 206.13979 162.0
[M+CH3COO]- 220.15544 183.7
[M+Na-2H]- 182.11626 143.0
[M]+ 161.14104 142.2
[M]- 161.14214 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