CID 867664

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

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN1C2=C(C=C(C=C2)N)N=C1CO
InChI
InChI=1S/C9H11N3O/c1-12-8-3-2-6(10)4-7(8)11-9(12)5-13/h2-4,13H,5,10H2,1H3
InChIKey
ZPELHGDYBGCOKX-UHFFFAOYSA-N
Compound name
(5-amino-1-methylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

177.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 135.7
[M+Na]+ 200.079428 147.1
[M-H]- 176.082934 137.1
[M+NH4]+ 195.124033 155.7
[M+K]+ 216.053368 143.2
[M+H-H2O]+ 160.087470 129.2
[M+HCOO]- 222.088411 158.9
[M+CH3COO]- 236.104061 181.0
[M+Na-2H]- 198.064876 142.3
[M]+ 177.08966142 136.7
[M]- 177.09075858 136.7
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

No patent data available for this compound.