CID 45579

Trisodium-2-(hydroxycyclohexyl)ethylenediamine triacetate

Structural Information

Molecular Formula
C14H24N2O7
SMILES
C1CCC(C(C1)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)O
InChI
InChI=1S/C14H24N2O7/c17-11-4-2-1-3-10(11)16(9-14(22)23)6-5-15(7-12(18)19)8-13(20)21/h10-11,17H,1-9H2,(H,18,19)(H,20,21)(H,22,23)
InChIKey
XEGLIPUGSXZGNO-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-[carboxymethyl-(2-hydroxycyclohexyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

332.15836 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16564 174.4
[M+Na]+ 355.14758 176.1
[M+NH4]+ 350.19218 176.1
[M+K]+ 371.12152 177.0
[M-H]- 331.15108 170.8
[M+Na-2H]- 353.13303 171.9
[M]+ 332.15781 172.4
[M]- 332.15891 172.4
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

patents stripe