CID 3020833

85604-87-1

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(=O)CC(=O)OCCOCCN(C)C
InChI
InChI=1S/C10H19NO4/c1-9(12)8-10(13)15-7-6-14-5-4-11(2)3/h4-8H2,1-3H3
InChIKey
GIJVAQNLTSPVGC-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]ethyl 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 150.5
[M+Na]+ 240.120628 155.5
[M-H]- 216.124134 151.7
[M+NH4]+ 235.165233 169.3
[M+K]+ 256.094568 157.3
[M+H-H2O]+ 200.128670 144.4
[M+HCOO]- 262.129611 174.0
[M+CH3COO]- 276.145261 194.8
[M+Na-2H]- 238.106076 152.6
[M]+ 217.13086142 156.9
[M]- 217.13195858 156.9
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

No patent data available for this compound.