CID 293636

Nitromethylidenecyclohexane

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CCC(=C[N+](=O)[O-])CC1

InChI

InChI=1S/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2

InChIKey

JVQOIOZEAYCROA-UHFFFAOYSA-N

Compound name

nitromethylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 141.07898 Da
Monoisotopic Mass: 2.1
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]+	142.08626	129.3
[M+Na]+	164.06820	133.8
[M-H]-	140.07170	132.1
[M+NH4]+	159.11280	149.7
[M+K]+	180.04214	128.9
[M+H-H2O]+	124.07624	128.6
[M+HCOO]-	186.07718	151.6
[M+CH3COO]-	200.09283	166.1
[M+Na-2H]-	162.05365	136.2
[M]+	141.07843	122.5
[M]-	141.07953	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe