CID 3064643

Glycine, n,n'-(1,5-dioxo-1,5-pentanediyl)bis-, diethyl ester

Structural Information

Molecular Formula
C13H22N2O6
SMILES
CCC(C)N(CC(=O)O)C(=O)CCCC(=O)NCC(=O)O
InChI
InChI=1S/C13H22N2O6/c1-3-9(2)15(8-13(20)21)11(17)6-4-5-10(16)14-7-12(18)19/h9H,3-8H2,1-2H3,(H,14,16)(H,18,19)(H,20,21)
InChIKey
SNOWTASDPTZTQY-UHFFFAOYSA-N
Compound name
2-[[5-[butan-2-yl(carboxymethyl)amino]-5-oxopentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1478 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.155076 171.3
[M+Na]+ 325.137018 172.9
[M-H]- 301.140524 169.1
[M+NH4]+ 320.181623 184.1
[M+K]+ 341.110958 174.0
[M+H-H2O]+ 285.145060 164.4
[M+HCOO]- 347.146001 189.5
[M+CH3COO]- 361.161651 208.7
[M+Na-2H]- 323.122466 167.5
[M]+ 302.14725142 173.3
[M]- 302.14834858 173.3
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.