CID 21959566

1135492-28-2

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1(COC2=C1C=CC(=C2)N)C

InChI

InChI=1S/C10H13NO/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5H,6,11H2,1-2H3

InChIKey

QKSNTBXQNBJMNU-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2H-1-benzofuran-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 163.09972 Da
Monoisotopic Mass: 2.1
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]+	164.10700	132.7
[M+Na]+	186.08894	142.2
[M-H]-	162.09244	138.1
[M+NH4]+	181.13354	157.0
[M+K]+	202.06288	140.7
[M+H-H2O]+	146.09698	128.2
[M+HCOO]-	208.09792	155.9
[M+CH3COO]-	222.11357	179.9
[M+Na-2H]-	184.07439	140.1
[M]+	163.09917	132.5
[M]-	163.10027	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe