CID 91697

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-amine

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC1(CC2=C(O1)C(=CC=C2)N)C

InChI

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

InChIKey

LMTIGABGABPAGU-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3H-1-benzofuran-7-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 200
Patents: 163.09972 Da
Monoisotopic Mass: 1.8
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]+	164.106996	132.7
[M+Na]+	186.088938	142.2
[M-H]-	162.092444	138.1
[M+NH4]+	181.133543	157.0
[M+K]+	202.062878	140.7
[M+H-H2O]+	146.096980	128.2
[M+HCOO]-	208.097921	155.9
[M+CH3COO]-	222.113571	179.9
[M+Na-2H]-	184.074386	140.1
[M]+	163.09917142	132.5
[M]-	163.10026858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe