CID 817786

{[(phenylacetyl)amino]oxy}acetic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C=C1)CC(=O)NOCC(=O)O
InChI
InChI=1S/C10H11NO4/c12-9(11-15-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey
UPVVIWAJTWEWOA-UHFFFAOYSA-N
Compound name
2-[(2-phenylacetyl)amino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.6
[M+Na]+ 232.05802 149.1
[M-H]- 208.06152 145.6
[M+NH4]+ 227.10262 160.9
[M+K]+ 248.03196 147.9
[M+H-H2O]+ 192.06606 137.1
[M+HCOO]- 254.06700 166.7
[M+CH3COO]- 268.08265 184.2
[M+Na-2H]- 230.04347 148.6
[M]+ 209.06825 144.2
[M]- 209.06935 144.2
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.