CID 53423337

Einecs 289-206-1

Structural Information

Molecular Formula
C12H26N2O3
SMILES
CC(COCCN(C)C)C(=O)OCCN(C)C
InChI
InChI=1S/C12H26N2O3/c1-11(10-16-8-6-13(2)3)12(15)17-9-7-14(4)5/h11H,6-10H2,1-5H3
InChIKey
FACKEXLZTVELDI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-[2-(dimethylamino)ethoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.19434 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.201616 163.2
[M+Na]+ 269.183558 166.4
[M-H]- 245.187064 165.4
[M+NH4]+ 264.228163 181.2
[M+K]+ 285.157498 169.2
[M+H-H2O]+ 229.191600 156.1
[M+HCOO]- 291.192541 187.0
[M+CH3COO]- 305.208191 208.1
[M+Na-2H]- 267.169006 163.5
[M]+ 246.19379142 170.0
[M]- 246.19488858 170.0
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