CID 84885

3-acetamidophthalic acid

Structural Information

Molecular Formula
C10H9NO5
SMILES
CC(=O)NC1=CC=CC(=C1C(=O)O)C(=O)O
InChI
InChI=1S/C10H9NO5/c1-5(12)11-7-4-2-3-6(9(13)14)8(7)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKey
ONSCGVISIRLDJQ-UHFFFAOYSA-N
Compound name
3-acetamidophthalic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

223.04807 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 146.5
[M+Na]+ 246.03729 155.3
[M+NH4]+ 241.08189 151.1
[M+K]+ 262.01123 153.3
[M-H]- 222.04079 145.1
[M+Na-2H]- 244.02274 149.2
[M]+ 223.04752 146.7
[M]- 223.04862 146.7
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