CID 13505556

5-(hydroxymethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC2=C(C=C1CO)NC=N2
InChI
InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
InChIKey
ITPDIGZAMXKBCF-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 127.1
[M+Na]+ 171.052878 137.6
[M-H]- 147.056384 127.1
[M+NH4]+ 166.097483 147.6
[M+K]+ 187.026818 133.5
[M+H-H2O]+ 131.060920 120.9
[M+HCOO]- 193.061861 148.8
[M+CH3COO]- 207.077511 140.9
[M+Na-2H]- 169.038326 135.8
[M]+ 148.06311142 126.8
[M]- 148.06420858 126.8
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