CID 43149698

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(C)N
InChI
InChI=1S/C12H15NO2/c1-7-10-6-9(14-3)4-5-11(10)15-12(7)8(2)13/h4-6,8H,13H2,1-3H3
InChIKey
VZBUUIHOYJYDAX-UHFFFAOYSA-N
Compound name
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.4
[M+Na]+ 228.09950 154.6
[M-H]- 204.10300 150.3
[M+NH4]+ 223.14410 165.3
[M+K]+ 244.07344 153.2
[M+H-H2O]+ 188.10754 139.0
[M+HCOO]- 250.10848 169.0
[M+CH3COO]- 264.12413 190.1
[M+Na-2H]- 226.08495 149.5
[M]+ 205.10973 148.7
[M]- 205.11083 148.7
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

No patent data available for this compound.