CID 3067323

81258-10-8

Structural Information

Molecular Formula

C₁₂H₁₃NO₃

SMILES

COC1=C2C(=C3C(=C1)C=CN3)C(CCO2)O

InChI

InChI=1S/C12H13NO3/c1-15-9-6-7-2-4-13-11(7)10-8(14)3-5-16-12(9)10/h2,4,6,8,13-14H,3,5H2,1H3

InChIKey

UQGUIYIZPJVMON-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.08954 Da
Monoisotopic Mass: 1.3
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]+	220.096816	144.2
[M+Na]+	242.078758	153.9
[M-H]-	218.082264	146.9
[M+NH4]+	237.123363	163.1
[M+K]+	258.052698	150.8
[M+H-H2O]+	202.086800	138.5
[M+HCOO]-	264.087741	162.2
[M+CH3COO]-	278.103391	157.1
[M+Na-2H]-	240.064206	151.2
[M]+	219.08899142	145.1
[M]-	219.09008858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.