CID 11063985

Schembl3418535

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
2
Annotation Hits

0
References

18
Patents

221.08994 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.097216 147.1
[M+Na]+ 244.079158 151.2
[M-H]- 220.082664 144.0
[M+NH4]+ 239.123763 163.1
[M+K]+ 260.053098 151.9
[M+H-H2O]+ 204.087200 141.2
[M+HCOO]- 266.088141 167.0
[M+CH3COO]- 280.103791 186.2
[M+Na-2H]- 242.064606 148.7
[M]+ 221.08939142 149.7
[M]- 221.09048858 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