CID 13908296

Schembl3416374

Structural Information

Molecular Formula
C10H19N3O6
SMILES
C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N
InChI
InChI=1S/C10H19N3O6/c11-1-2-12(5-8(14)15)3-4-13(6-9(16)17)7-10(18)19/h1-7,11H2,(H,14,15)(H,16,17)(H,18,19)
InChIKey
YDILSZMHPMVNJG-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

277.12738 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.134656 161.8
[M+Na]+ 300.116598 163.4
[M-H]- 276.120104 159.3
[M+NH4]+ 295.161203 174.9
[M+K]+ 316.090538 165.1
[M+H-H2O]+ 260.124640 154.4
[M+HCOO]- 322.125581 182.1
[M+CH3COO]- 336.141231 206.0
[M+Na-2H]- 298.102046 160.0
[M]+ 277.12683142 162.3
[M]- 277.12792858 162.3
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

patents stripe