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]+ 218.117556 148.5
[M+Na]+ 240.099498 157.3
[M-H]- 216.103004 154.5
[M+NH4]+ 235.144103 168.7
[M+K]+ 256.073438 155.9
[M+H-H2O]+ 200.107540 142.8
[M+HCOO]- 262.108481 172.5
[M+CH3COO]- 276.124131 191.9
[M+Na-2H]- 238.084946 153.5
[M]+ 217.10973142 152.3
[M]- 217.11082858 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.