CID 135568366

2-((hydroxyimino)methyl)-3-methyl-1-(methoxymethyl)benzimidazolium chloride

Structural Information

Molecular Formula
C11H14N3O2
SMILES
C[N+]1=C(N(C2=CC=CC=C21)COC)/C=N/O
InChI
InChI=1S/C11H13N3O2/c1-13-9-5-3-4-6-10(9)14(8-16-2)11(13)7-12-15/h3-7H,8H2,1-2H3/p+1
InChIKey
WMVGJLOQFDXIBX-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(methoxymethyl)-3-methylbenzimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.1086 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11588 146.8
[M+Na]+ 243.09782 157.7
[M-H]- 219.10132 150.1
[M+NH4]+ 238.14242 165.6
[M+K]+ 259.07176 149.1
[M+H-H2O]+ 203.10586 142.2
[M+HCOO]- 265.10680 171.5
[M+CH3COO]- 279.12245 183.8
[M+Na-2H]- 241.08327 156.5
[M]+ 220.10805 150.6
[M]- 220.10915 150.6
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.