CID 801001

5-hydroxy-n,n,2-trimethyl-1-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)N(C)C
InChI
InChI=1S/C12H13NO3/c1-7-11(12(15)13(2)3)9-6-8(14)4-5-10(9)16-7/h4-6,14H,1-3H3
InChIKey
NNTPBHNKWNLDQM-UHFFFAOYSA-N
Compound name
5-hydroxy-N,N,2-trimethyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.1
[M+Na]+ 242.07876 156.2
[M-H]- 218.08226 152.7
[M+NH4]+ 237.12336 166.6
[M+K]+ 258.05270 155.7
[M+H-H2O]+ 202.08680 140.8
[M+HCOO]- 264.08774 170.7
[M+CH3COO]- 278.10339 192.3
[M+Na-2H]- 240.06421 151.2
[M]+ 219.08899 151.5
[M]- 219.09009 151.5
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

No patent data available for this compound.