CID 64829

16220-85-2

Structural Information

Molecular Formula
C11H13NO5
SMILES
COC1=C(C=CC=C1C(=O)O)CC(C(=O)O)N
InChI
InChI=1S/C11H13NO5/c1-17-9-6(5-8(12)11(15)16)3-2-4-7(9)10(13)14/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16)
InChIKey
WGGPPEKJGAPWDR-UHFFFAOYSA-N
Compound name
3-(2-amino-2-carboxyethyl)-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07938 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.9
[M+Na]+ 262.06860 156.9
[M-H]- 238.07210 151.6
[M+NH4]+ 257.11320 166.3
[M+K]+ 278.04254 155.6
[M+H-H2O]+ 222.07664 144.7
[M+HCOO]- 284.07758 170.6
[M+CH3COO]- 298.09323 190.7
[M+Na-2H]- 260.05405 151.2
[M]+ 239.07883 150.6
[M]- 239.07993 150.6
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

No patent data available for this compound.