CID 819897

20033-99-2

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

COC1=CC2=C(C=C1)N=C(N2)CO

InChI

InChI=1S/C9H10N2O2/c1-13-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)

InChIKey

VFKGGGIPGOQNRO-UHFFFAOYSA-N

Compound name

(6-methoxy-1H-benzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 178.07423 Da
Monoisotopic Mass: 1.1
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]+	179.08151	134.9
[M+Na]+	201.06345	145.7
[M-H]-	177.06695	135.1
[M+NH4]+	196.10805	154.4
[M+K]+	217.03739	141.9
[M+H-H2O]+	161.07149	128.5
[M+HCOO]-	223.07243	156.4
[M+CH3COO]-	237.08808	175.0
[M+Na-2H]-	199.04890	142.4
[M]+	178.07368	136.8
[M]-	178.07478	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe