CID 543829

11-nitro-1-undecene

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

C=CCCCCCCCCC[N+](=O)[O-]

InChI

InChI=1S/C11H21NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2

InChIKey

QSFROPSPQWQTKU-UHFFFAOYSA-N

Compound name

11-nitroundec-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 199.15723 Da
Monoisotopic Mass: 4.6
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]+	200.164506	151.5
[M+Na]+	222.146448	156.3
[M-H]-	198.149954	150.9
[M+NH4]+	217.191053	170.2
[M+K]+	238.120388	150.4
[M+H-H2O]+	182.154490	150.6
[M+HCOO]-	244.155431	175.2
[M+CH3COO]-	258.171081	182.9
[M+Na-2H]-	220.131896	156.4
[M]+	199.15668142	153.0
[M]-	199.15777858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe