CID 135568363

21749-67-7

Structural Information

Molecular Formula

C₁₀H₁₂N₃O

SMILES

CN1C2=CC=CC=C2[N+](=C1/C=N/O)C

InChI

InChI=1S/C10H11N3O/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14/h3-7H,1-2H3/p+1

InChIKey

JIINTMCQTYJJQW-UHFFFAOYSA-O

Compound name

(NE)-N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 190.09804 Da
Monoisotopic Mass: 1.6
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]+	191.105316	138.9
[M+Na]+	213.087258	150.4
[M-H]-	189.090764	142.4
[M+NH4]+	208.131863	159.1
[M+K]+	229.061198	141.6
[M+H-H2O]+	173.095300	134.7
[M+HCOO]-	235.096241	163.8
[M+CH3COO]-	249.111891	178.7
[M+Na-2H]-	211.072706	149.0
[M]+	190.09749142	141.0
[M]-	190.09858858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.