CID 135705420

1h-imidazolium, 1-(((cyclohexylmethyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Structural Information

Molecular Formula

C₁₃H₂₂N₃O₂

SMILES

C[N+]1=C(N(C=C1)COCC2CCCCC2)/C=N/O

InChI

InChI=1S/C13H21N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3/p+1

InChIKey

TZWZRRWSJYZVDA-UHFFFAOYSA-O

Compound name

(NE)-N-[[1-(cyclohexylmethoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.1712 Da
Monoisotopic Mass: 2.5
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]+	253.178476	160.1
[M+Na]+	275.160418	164.9
[M-H]-	251.163924	163.6
[M+NH4]+	270.205023	175.5
[M+K]+	291.134358	156.8
[M+H-H2O]+	235.168460	153.9
[M+HCOO]-	297.169401	180.0
[M+CH3COO]-	311.185051	188.2
[M+Na-2H]-	273.145866	164.8
[M]+	252.17065142	157.1
[M]-	252.17174858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.