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 135.4
[M+Na]+ 201.08726 145.6
[M-H]- 177.09076 136.7
[M+NH4]+ 196.13186 154.7
[M+K]+ 217.06120 136.4
[M+H-H2O]+ 161.09530 131.3
[M+HCOO]- 223.09624 158.3
[M+CH3COO]- 237.11189 172.9
[M+Na-2H]- 199.07271 145.3
[M]+ 178.09749 134.8
[M]- 178.09859 134.8
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.