CID 23021540

N,2-dihydroxy-4-methylbenzamide

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=CC(=C(C=C1)C(=O)NO)O
InChI
InChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)8(11)9-12/h2-4,10,12H,1H3,(H,9,11)
InChIKey
GWUYSOZDSVVSQU-UHFFFAOYSA-N
Compound name
N,2-dihydroxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

167.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.4
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 134.1
[M+NH4]+ 185.09206 151.6
[M+K]+ 206.02140 138.4
[M+H-H2O]+ 150.05550 127.2
[M+HCOO]- 212.05644 155.2
[M+CH3COO]- 226.07209 175.9
[M+Na-2H]- 188.03291 137.8
[M]+ 167.05769 131.1
[M]- 167.05879 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

literature stripe

Patent stripe

patents stripe