CID 7152

N-(2-hydroxyethyl)iminodiacetic acid

Structural Information

Molecular Formula
C6H11NO5
SMILES
C(CO)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)
InChIKey
JYXGIOKAKDAARW-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

27740
Patents

177.06372 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07100 136.0
[M+Na]+ 200.05294 141.1
[M-H]- 176.05644 133.4
[M+NH4]+ 195.09754 153.9
[M+K]+ 216.02688 141.7
[M+H-H2O]+ 160.06098 130.8
[M+HCOO]- 222.06192 156.3
[M+CH3COO]- 236.07757 178.0
[M+Na-2H]- 198.03839 138.5
[M]+ 177.06317 136.4
[M]- 177.06427 136.4
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