CID 17608055

2-[4-(carbamoylmethyl)phenoxy]acetic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC(=CC=C1CC(=O)N)OCC(=O)O
InChI
InChI=1S/C10H11NO4/c11-9(12)5-7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H2,11,12)(H,13,14)
InChIKey
GSGVYLIJWJIKQD-UHFFFAOYSA-N
Compound name
2-[4-(2-amino-2-oxoethyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.5
[M+Na]+ 232.05802 149.9
[M-H]- 208.06152 145.4
[M+NH4]+ 227.10262 160.8
[M+K]+ 248.03196 148.4
[M+H-H2O]+ 192.06606 137.2
[M+HCOO]- 254.06700 165.9
[M+CH3COO]- 268.08265 185.5
[M+Na-2H]- 230.04347 146.7
[M]+ 209.06825 143.6
[M]- 209.06935 143.6
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

patents stripe