CID 768763

505067-62-9

Structural Information

Molecular Formula
C13H15NO2
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)NC(C)C
InChI
InChI=1S/C13H15NO2/c1-8(2)14-13(15)12-9(3)10-6-4-5-7-11(10)16-12/h4-8H,1-3H3,(H,14,15)
InChIKey
TWNPUQQFPVHYQE-UHFFFAOYSA-N
Compound name
3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

217.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.5
[M+Na]+ 240.09950 157.3
[M-H]- 216.10300 154.5
[M+NH4]+ 235.14410 168.7
[M+K]+ 256.07344 155.9
[M+H-H2O]+ 200.10754 142.8
[M+HCOO]- 262.10848 172.5
[M+CH3COO]- 276.12413 191.9
[M+Na-2H]- 238.08495 153.5
[M]+ 217.10973 152.3
[M]- 217.11083 152.3
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.