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
4
Annotation Hits

0
References

38
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 144.4
[M+Na]+ 246.03729 151.3
[M-H]- 222.04079 145.9
[M+NH4]+ 241.08189 160.8
[M+K]+ 262.01123 149.9
[M+H-H2O]+ 206.04533 138.6
[M+HCOO]- 268.04627 165.3
[M+CH3COO]- 282.06192 186.7
[M+Na-2H]- 244.02274 146.4
[M]+ 223.04752 144.0
[M]- 223.04862 144.0
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

patents stripe