CID 81839

Einecs 251-904-9

Structural Information

Molecular Formula
C11H13NO5
SMILES
C1=CC=C(C(=C1)CN(CC(=O)O)CC(=O)O)O
InChI
InChI=1S/C11H13NO5/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChIKey
WEEDGRHKIMNHJA-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

239.07938 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.8
[M+Na]+ 262.06860 155.8
[M-H]- 238.07210 151.5
[M+NH4]+ 257.11320 166.1
[M+K]+ 278.04254 154.8
[M+H-H2O]+ 222.07664 144.3
[M+HCOO]- 284.07758 171.1
[M+CH3COO]- 298.09323 189.9
[M+Na-2H]- 260.05405 152.8
[M]+ 239.07883 151.1
[M]- 239.07993 151.1
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