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]+ 333.165636 173.8
[M+Na]+ 355.147578 173.1
[M-H]- 331.151084 172.7
[M+NH4]+ 350.192183 184.2
[M+K]+ 371.121518 174.2
[M+H-H2O]+ 315.155620 166.5
[M+HCOO]- 377.156561 188.3
[M+CH3COO]- 391.172211 211.4
[M+Na-2H]- 353.133026 170.2
[M]+ 332.15781142 171.2
[M]- 332.15890858 171.2
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