CID 10213

482-54-2

Structural Information

Molecular Formula
C14H22N2O8
SMILES
C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
FCKYPQBAHLOOJQ-UHFFFAOYSA-N
Compound name
2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

143
References

17889
Patents

346.1376 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14488 174.7
[M+Na]+ 369.12682 175.6
[M+NH4]+ 364.17142 175.4
[M+K]+ 385.10076 177.9
[M-H]- 345.13032 170.1
[M+Na-2H]- 367.11227 171.5
[M]+ 346.13705 172.2
[M]- 346.13815 172.2
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