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]+ 220.096816 146.1
[M+Na]+ 242.078758 156.2
[M-H]- 218.082264 152.7
[M+NH4]+ 237.123363 166.6
[M+K]+ 258.052698 155.7
[M+H-H2O]+ 202.086800 140.8
[M+HCOO]- 264.087741 170.7
[M+CH3COO]- 278.103391 192.3
[M+Na-2H]- 240.064206 151.2
[M]+ 219.08899142 151.5
[M]- 219.09008858 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.