CID 11063985

92511-22-3

Structural Information

Molecular Formula
C8H15NO6
SMILES
C(COCCO)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H15NO6/c10-2-4-15-3-1-9(5-7(11)12)6-8(13)14/h10H,1-6H2,(H,11,12)(H,13,14)
InChIKey
KWIQAPHZTBNXCB-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

221.08994 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09722 147.1
[M+Na]+ 244.07916 151.2
[M-H]- 220.08266 144.0
[M+NH4]+ 239.12376 163.1
[M+K]+ 260.05310 151.9
[M+H-H2O]+ 204.08720 141.2
[M+HCOO]- 266.08814 167.0
[M+CH3COO]- 280.10379 186.2
[M+Na-2H]- 242.06461 148.7
[M]+ 221.08939 149.7
[M]- 221.09049 149.7
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