CID 124103

N-(4-hydroxy-3-methylnaphthalen-1-yl)acetamide

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=C(C2=CC=CC=C2C(=C1)NC(=O)C)O
InChI
InChI=1S/C13H13NO2/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13(8)16/h3-7,16H,1-2H3,(H,14,15)
InChIKey
WBCVLLLKWZXXBK-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3-methylnaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

215.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 145.7
[M+Na]+ 238.083858 154.3
[M-H]- 214.087364 149.6
[M+NH4]+ 233.128463 165.0
[M+K]+ 254.057798 150.9
[M+H-H2O]+ 198.091900 139.8
[M+HCOO]- 260.092841 168.0
[M+CH3COO]- 274.108491 190.1
[M+Na-2H]- 236.069306 151.7
[M]+ 215.09409142 145.9
[M]- 215.09518858 145.9
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