CID 13222808

5-carbamoyl-2-methoxybenzoic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=C(C=C(C=C1)C(=O)N)C(=O)O
InChI
InChI=1S/C9H9NO4/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H2,10,11)(H,12,13)
InChIKey
YODFKNSUHOLONI-UHFFFAOYSA-N
Compound name
5-carbamoyl-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.4
[M+Na]+ 218.04238 146.1
[M-H]- 194.04588 140.8
[M+NH4]+ 213.08698 156.5
[M+K]+ 234.01632 144.9
[M+H-H2O]+ 178.05042 132.6
[M+HCOO]- 240.05136 161.1
[M+CH3COO]- 254.06701 183.7
[M+Na-2H]- 216.02783 141.4
[M]+ 195.05261 138.5
[M]- 195.05371 138.5
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