CID 39490

49540-52-5

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CCC2=C(C1)C3=C(O2)C=CN=C3

InChI

InChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h5-7H,1-4H2

InChIKey

DPWQIYOYJJGPFM-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.08406 Da
Monoisotopic Mass: 2.5
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]+	174.09134	133.4
[M+Na]+	196.07328	148.2
[M+NH4]+	191.11788	144.2
[M+K]+	212.04722	142.3
[M-H]-	172.07678	138.1
[M+Na-2H]-	194.05873	140.2
[M]+	173.08351	137.0
[M]-	173.08461	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.