CID 77163

2,2-diethoxy-n,n-dimethylethanamine

Structural Information

Molecular Formula
C8H19NO2
SMILES
CCOC(CN(C)C)OCC
InChI
InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKey
SSFAUOAQOOISRQ-UHFFFAOYSA-N
Compound name
2,2-diethoxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

491
Patents

161.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.14887 138.7
[M+Na]+ 184.13081 144.2
[M-H]- 160.13431 140.1
[M+NH4]+ 179.17541 160.0
[M+K]+ 200.10475 146.2
[M+H-H2O]+ 144.13885 133.1
[M+HCOO]- 206.13979 162.9
[M+CH3COO]- 220.15544 186.4
[M+Na-2H]- 182.11626 142.9
[M]+ 161.14104 143.5
[M]- 161.14214 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe