CID 205922

1-(1h-1,3-benzodiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC(C1=NC2=CC=CC=C2N1)O
InChI
InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
InChIKey
XZHWEHOSQYNGOL-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

308
Patents

162.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 132.3
[M+Na]+ 185.068538 142.0
[M-H]- 161.072044 132.3
[M+NH4]+ 180.113143 152.2
[M+K]+ 201.042478 138.2
[M+H-H2O]+ 145.076580 126.0
[M+HCOO]- 207.077521 152.7
[M+CH3COO]- 221.093171 145.5
[M+Na-2H]- 183.053986 139.3
[M]+ 162.07877142 131.8
[M]- 162.07986858 131.8
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