CID 97831

3319-28-6

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(C1=NC2=CC=CC=C2N1C)O
InChI
InChI=1S/C10H12N2O/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)2/h3-7,13H,1-2H3
InChIKey
HXNWGBPRRHESCL-UHFFFAOYSA-N
Compound name
1-(1-methylbenzimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

8
Patents

176.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.4
[M+Na]+ 199.08418 147.0
[M-H]- 175.08768 137.9
[M+NH4]+ 194.12878 156.7
[M+K]+ 215.05812 143.9
[M+H-H2O]+ 159.09222 129.9
[M+HCOO]- 221.09316 157.9
[M+CH3COO]- 235.10881 179.4
[M+Na-2H]- 197.06963 142.6
[M]+ 176.09441 138.4
[M]- 176.09551 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.