CID 4083060

N,n-bis(carboxymethyl)glucamine, disodium salt

Structural Information

Molecular Formula
C10H19NO9
SMILES
C(C(C(C(C(CO)O)O)O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H19NO9/c12-4-6(14)10(20)9(19)5(13)1-11(2-7(15)16)3-8(17)18/h5-6,9-10,12-14,19-20H,1-4H2,(H,15,16)(H,17,18)
InChIKey
NNJYRENMDXLMEC-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(2,3,4,5,6-pentahydroxyhexyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.106 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11328 163.6
[M+Na]+ 320.09522 163.6
[M-H]- 296.09872 154.6
[M+NH4]+ 315.13982 174.8
[M+K]+ 336.06916 165.4
[M+H-H2O]+ 280.10326 157.5
[M+HCOO]- 342.10420 167.7
[M+CH3COO]- 356.11985 195.1
[M+Na-2H]- 318.08067 157.5
[M]+ 297.10545 161.1
[M]- 297.10655 161.1
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.