CID 79432

5412-66-8

Structural Information

Molecular Formula
C9H17NO4
SMILES
CCOC(=O)CN(C)CC(=O)OCC
InChI
InChI=1S/C9H17NO4/c1-4-13-8(11)6-10(3)7-9(12)14-5-2/h4-7H2,1-3H3
InChIKey
ODKKLRIGMTZMLI-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.11575 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 146.0
[M+Na]+ 226.10497 151.5
[M-H]- 202.10847 147.4
[M+NH4]+ 221.14957 165.5
[M+K]+ 242.07891 153.5
[M+H-H2O]+ 186.11301 140.1
[M+HCOO]- 248.11395 169.8
[M+CH3COO]- 262.12960 191.1
[M+Na-2H]- 224.09042 148.6
[M]+ 203.11520 151.9
[M]- 203.11630 151.9
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

patents stripe