CID 39518

49710-96-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC1=C(OC2=C(C(=CC(=C12)OC)N)OC)C

InChI

InChI=1S/C12H15NO3/c1-6-7(2)16-12-10(6)9(14-3)5-8(13)11(12)15-4/h5H,13H2,1-4H3

InChIKey

HSHAXLYEAOTKRB-UHFFFAOYSA-N

Compound name

4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.1052 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.112476	146.4
[M+Na]+	244.094418	158.6
[M-H]-	220.097924	153.0
[M+NH4]+	239.139023	167.3
[M+K]+	260.068358	157.3
[M+H-H2O]+	204.102460	141.3
[M+HCOO]-	266.103401	172.1
[M+CH3COO]-	280.119051	193.8
[M+Na-2H]-	242.079866	151.5
[M]+	221.10465142	153.6
[M]-	221.10574858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.