CID 80296

1939-36-2

Structural Information

Molecular Formula
C11H18N2O8
SMILES
C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
DMQQXDPCRUGSQB-UHFFFAOYSA-N
Compound name
2-[3-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

7386
Patents

306.10632 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11360 165.2
[M+Na]+ 329.09554 166.6
[M-H]- 305.09904 161.7
[M+NH4]+ 324.14014 186.5
[M+K]+ 345.06948 168.8
[M+H-H2O]+ 289.10358 158.2
[M+HCOO]- 351.10452 180.9
[M+CH3COO]- 365.12017 206.5
[M+Na-2H]- 327.08099 162.4
[M]+ 306.10577 167.6
[M]- 306.10687 167.6
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