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

30
Patents

162.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 131.9
[M+Na]+ 185.068538 142.9
[M-H]- 161.072044 132.1
[M+NH4]+ 180.113143 152.2
[M+K]+ 201.042478 138.6
[M+H-H2O]+ 145.076580 125.8
[M+HCOO]- 207.077521 153.3
[M+CH3COO]- 221.093171 145.6
[M+Na-2H]- 183.053986 139.4
[M]+ 162.07877142 132.4
[M]- 162.07986858 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