CID 18465

3148-72-9

Structural Information

Molecular Formula
C11H18N2O9
SMILES
C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
WYMDDFRYORANCC-UHFFFAOYSA-N
Compound name
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

12800
Patents

322.10123 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10851 168.3
[M+Na]+ 345.09045 168.0
[M+NH4]+ 340.13505 193.8
[M+K]+ 361.06439 190.2
[M-H]- 321.09395 194.0
[M+Na-2H]- 343.07590 162.9
[M]+ 322.10068 190.0
[M]- 322.10178 190.0
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