CID 450010

Bfx-1022

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC=NC(=C1)CCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H14N2O4/c14-10(15)7-13(8-11(16)17)6-4-9-3-1-2-5-12-9/h1-3,5H,4,6-8H2,(H,14,15)(H,16,17)
InChIKey
UCYGQWQSWPJEQA-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(2-pyridin-2-ylethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 152.1
[M+Na]+ 261.084568 156.8
[M-H]- 237.088074 152.5
[M+NH4]+ 256.129173 166.7
[M+K]+ 277.058508 155.8
[M+H-H2O]+ 221.092610 144.5
[M+HCOO]- 283.093551 172.5
[M+CH3COO]- 297.109201 191.5
[M+Na-2H]- 259.070016 155.5
[M]+ 238.09480142 153.0
[M]- 238.09589858 153.0
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.