CID 679482

20034-02-0

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC1=CC2=C(C=C1)N=C(N2)CO

InChI

InChI=1S/C9H10N2O/c1-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)

InChIKey

GUVUEQHXSSOYNR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 162.07932 Da
Monoisotopic Mass: 1.0
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]+	163.08660	132.1
[M+Na]+	185.06854	145.7
[M+NH4]+	180.11314	140.5
[M+K]+	201.04248	141.2
[M-H]-	161.07204	132.8
[M+Na-2H]-	183.05399	138.3
[M]+	162.07877	134.1
[M]-	162.07987	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe