CID 3067321

81257-95-6

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

COC1=C2C(=C3C(=C1)C=CN3)CCCO2

InChI

InChI=1S/C12H13NO2/c1-14-10-7-8-4-5-13-11(8)9-3-2-6-15-12(9)10/h4-5,7,13H,2-3,6H2,1H3

InChIKey

IBUDEGUREFQMAE-UHFFFAOYSA-N

Compound name

5-methoxy-1,7,8,9-tetrahydropyrano[2,3-g]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.09464 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]+	204.101916	140.6
[M+Na]+	226.083858	150.1
[M-H]-	202.087364	144.4
[M+NH4]+	221.128463	160.6
[M+K]+	242.057798	147.2
[M+H-H2O]+	186.091900	134.5
[M+HCOO]-	248.092841	160.0
[M+CH3COO]-	262.108491	154.0
[M+Na-2H]-	224.069306	148.6
[M]+	203.09409142	141.5
[M]-	203.09518858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe