CID 135568366

Benzimidazolium, 2-((hydroxyimino)methyl)-1-(methoxymethyl)-3-methyl-, 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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.115876	146.8
[M+Na]+	243.097818	157.7
[M-H]-	219.101324	150.1
[M+NH4]+	238.142423	165.6
[M+K]+	259.071758	149.1
[M+H-H2O]+	203.105860	142.2
[M+HCOO]-	265.106801	171.5
[M+CH3COO]-	279.122451	183.8
[M+Na-2H]-	241.083266	156.5
[M]+	220.10805142	150.6
[M]-	220.10914858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.