CID 12770583

Methyl 2-[(2-methoxy-2-oxoethyl)(methyl)amino]acetate

Structural Information

Molecular Formula
C7H13NO4
SMILES
CN(CC(=O)OC)CC(=O)OC
InChI
InChI=1S/C7H13NO4/c1-8(4-6(9)11-2)5-7(10)12-3/h4-5H2,1-3H3
InChIKey
RTKQGHBTUHGYNR-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

175.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.091736 136.6
[M+Na]+ 198.073678 142.9
[M-H]- 174.077184 138.3
[M+NH4]+ 193.118283 157.1
[M+K]+ 214.047618 145.4
[M+H-H2O]+ 158.081720 131.0
[M+HCOO]- 220.082661 161.0
[M+CH3COO]- 234.098311 185.1
[M+Na-2H]- 196.059126 140.2
[M]+ 175.08391142 141.7
[M]- 175.08500858 141.7
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