CID 213172

N-carboxyglycine n,n'-(2-methyl-2-propyltrimethylene) ester monoammonium salt

Structural Information

Molecular Formula
C13H22N2O8
SMILES
CCCC(C)(COC(=O)NCC(=O)O)COC(=O)NCC(=O)O
InChI
InChI=1S/C13H22N2O8/c1-3-4-13(2,7-22-11(20)14-5-9(16)17)8-23-12(21)15-6-10(18)19/h3-8H2,1-2H3,(H,14,20)(H,15,21)(H,16,17)(H,18,19)
InChIKey
IWEBVFODQKDCSZ-UHFFFAOYSA-N
Compound name
2-[[2-(carboxymethylcarbamoyloxymethyl)-2-methylpentoxy]carbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14488 173.5
[M+Na]+ 357.12682 175.1
[M-H]- 333.13032 169.9
[M+NH4]+ 352.17142 189.1
[M+K]+ 373.10076 176.2
[M+H-H2O]+ 317.13486 166.8
[M+HCOO]- 379.13580 190.3
[M+CH3COO]- 393.15145 208.1
[M+Na-2H]- 355.11227 173.4
[M]+ 334.13705 177.1
[M]- 334.13815 177.1
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.