CID 59908

N-hydroxymethylethylenediaminetriacetic acid

Structural Information

Molecular Formula
C9H16N2O7
SMILES
C(CN(CC(=O)O)CO)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H16N2O7/c12-6-11(5-9(17)18)2-1-10(3-7(13)14)4-8(15)16/h12H,1-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
WWXISJJRNIVDIP-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-[carboxymethyl(hydroxymethyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

264.09576 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10304 155.9
[M+Na]+ 287.08498 158.3
[M-H]- 263.08848 152.7
[M+NH4]+ 282.12958 169.4
[M+K]+ 303.05892 160.1
[M+H-H2O]+ 247.09302 149.2
[M+HCOO]- 309.09396 174.9
[M+CH3COO]- 323.10961 198.1
[M+Na-2H]- 285.07043 155.0
[M]+ 264.09521 157.4
[M]- 264.09631 157.4
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