CID 132353814

(4-methoxy-1-benzothiophen-7-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₀O₂S

SMILES

COC1=C2C=CSC2=C(C=C1)CO

InChI

InChI=1S/C10H10O2S/c1-12-9-3-2-7(6-11)10-8(9)4-5-13-10/h2-5,11H,6H2,1H3

InChIKey

SNUUCNXJDWSMKE-UHFFFAOYSA-N

Compound name

(4-methoxy-1-benzothiophen-7-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.04015 Da
Monoisotopic Mass: 2.0
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]+	195.047426	137.4
[M+Na]+	217.029368	148.7
[M-H]-	193.032874	142.0
[M+NH4]+	212.073973	160.5
[M+K]+	233.003308	145.1
[M+H-H2O]+	177.037410	133.0
[M+HCOO]-	239.038351	157.7
[M+CH3COO]-	253.054001	179.0
[M+Na-2H]-	215.014816	142.0
[M]+	194.03960142	143.1
[M]-	194.04069858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.