CID 18525713

868755-44-6

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7,12H2,1-2H3

InChIKey

BQEPNISHAAOSFF-UHFFFAOYSA-N

Compound name

(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 177.11537 Da
Monoisotopic Mass: 1.4
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]+	178.12265	137.4
[M+Na]+	200.10459	149.2
[M+NH4]+	195.14919	148.4
[M+K]+	216.07853	142.8
[M-H]-	176.10809	141.8
[M+Na-2H]-	198.09004	143.8
[M]+	177.11482	140.4
[M]-	177.11592	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe