CID 100928

2,6-dihydroxy-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1=CC(=C(C(=C1)O)C(=O)NCCO)O
InChI
InChI=1S/C9H11NO4/c11-5-4-10-9(14)8-6(12)2-1-3-7(8)13/h1-3,11-13H,4-5H2,(H,10,14)
InChIKey
CTNJTLPTCMTOSQ-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.3
[M+Na]+ 220.058018 147.2
[M-H]- 196.061524 140.3
[M+NH4]+ 215.102623 157.4
[M+K]+ 236.031958 144.7
[M+H-H2O]+ 180.066060 134.7
[M+HCOO]- 242.067001 161.4
[M+CH3COO]- 256.082651 178.8
[M+Na-2H]- 218.043466 144.6
[M]+ 197.06825142 138.9
[M]- 197.06934858 138.9
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