CID 679482

(5-methyl-1h-1,3-benzodiazol-2-yl)methanol

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 131.9
[M+Na]+ 185.06854 142.9
[M-H]- 161.07204 132.1
[M+NH4]+ 180.11314 152.2
[M+K]+ 201.04248 138.6
[M+H-H2O]+ 145.07658 125.8
[M+HCOO]- 207.07752 153.3
[M+CH3COO]- 221.09317 145.6
[M+Na-2H]- 183.05399 139.4
[M]+ 162.07877 132.4
[M]- 162.07987 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe