CID 14092978

Methyl 3-[(2,2-dimethoxyethyl)amino]propanoate

Structural Information

Molecular Formula
C8H17NO4
SMILES
COC(CNCCC(=O)OC)OC
InChI
InChI=1S/C8H17NO4/c1-11-7(10)4-5-9-6-8(12-2)13-3/h8-9H,4-6H2,1-3H3
InChIKey
MFZWWLGJQHPEIA-UHFFFAOYSA-N
Compound name
methyl 3-(2,2-dimethoxyethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.11575 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12303 143.1
[M+Na]+ 214.10497 148.4
[M-H]- 190.10847 143.0
[M+NH4]+ 209.14957 162.3
[M+K]+ 230.07891 149.8
[M+H-H2O]+ 174.11301 137.3
[M+HCOO]- 236.11395 166.4
[M+CH3COO]- 250.12960 186.1
[M+Na-2H]- 212.09042 146.8
[M]+ 191.11520 148.0
[M]- 191.11630 148.0
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

No patent data available for this compound.