CID 115892

Gentisamide, n-methyl-

Structural Information

Molecular Formula
C8H9NO3
SMILES
CNC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C8H9NO3/c1-9-8(12)6-4-5(10)2-3-7(6)11/h2-4,10-11H,1H3,(H,9,12)
InChIKey
WQZUEUHQLFUVOF-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

167.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.4
[M+Na]+ 190.047458 140.4
[M-H]- 166.050964 134.1
[M+NH4]+ 185.092063 151.6
[M+K]+ 206.021398 138.4
[M+H-H2O]+ 150.055500 127.2
[M+HCOO]- 212.056441 155.2
[M+CH3COO]- 226.072091 175.9
[M+Na-2H]- 188.032906 137.8
[M]+ 167.05769142 131.1
[M]- 167.05878858 131.1
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