CID 66722

92-80-8

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCO)O
InChI
InChI=1S/C13H13NO3/c15-6-5-14-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,15-16H,5-6H2,(H,14,17)
InChIKey
VYHNSPUVKZPCDZ-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-hydroxyethyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

253
Patents

231.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.0
[M+Na]+ 254.07876 156.2
[M-H]- 230.08226 151.1
[M+NH4]+ 249.12336 166.5
[M+K]+ 270.05270 152.4
[M+H-H2O]+ 214.08680 142.9
[M+HCOO]- 276.08774 170.0
[M+CH3COO]- 290.10339 188.6
[M+Na-2H]- 252.06421 155.3
[M]+ 231.08899 148.4
[M]- 231.09009 148.4
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