CID 33754

1-methoxy-2-(aminooxymethyl)benzimidazole dihydrochloride

Structural Information

Molecular Formula
C9H12N3O
SMILES
C[N+]1=C(NC2=CC=CC=C21)CON
InChI
InChI=1S/C9H11N3O/c1-12-8-5-3-2-4-7(8)11-9(12)6-13-10/h2-5H,6,10H2,1H3/p+1
InChIKey
FWOFPXVVUMLSCV-UHFFFAOYSA-O
Compound name
O-[(3-methyl-1H-benzimidazol-3-ium-2-yl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09804 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10532 132.6
[M+Na]+ 201.08726 147.3
[M+NH4]+ 196.13186 141.8
[M+K]+ 217.06120 143.8
[M-H]- 177.09076 135.7
[M+Na-2H]- 199.07271 139.9
[M]+ 178.09749 135.8
[M]- 178.09859 135.8
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.