CID 506083

4-acetamido-3-(2-hydroxyethoxy)benzoic acid

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(=O)NC1=C(C=C(C=C1)C(=O)O)OCCO
InChI
InChI=1S/C11H13NO5/c1-7(14)12-9-3-2-8(11(15)16)6-10(9)17-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)(H,15,16)
InChIKey
OBKFQEHEQYMIMB-UHFFFAOYSA-N
Compound name
4-acetamido-3-(2-hydroxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

239.07938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 150.4
[M+Na]+ 262.06860 156.7
[M-H]- 238.07210 151.5
[M+NH4]+ 257.11320 166.2
[M+K]+ 278.04254 155.2
[M+H-H2O]+ 222.07664 144.1
[M+HCOO]- 284.07758 171.7
[M+CH3COO]- 298.09323 189.5
[M+Na-2H]- 260.05405 153.0
[M]+ 239.07883 151.7
[M]- 239.07993 151.7
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