CID 38523

1-nitrosoazacyclotridecane

Structural Information

Molecular Formula

C₁₂H₂₄N₂O

SMILES

C1CCCCCCN(CCCCC1)N=O

InChI

InChI=1S/C12H24N2O/c15-13-14-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

InChIKey

HQHACWYQWDKBOZ-UHFFFAOYSA-N

Compound name

1-nitroso-azacyclotridecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 118
Patents: 212.18886 Da
Monoisotopic Mass: 4.2
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]+	213.19614	148.9
[M+Na]+	235.17808	150.2
[M-H]-	211.18158	148.8
[M+NH4]+	230.22268	163.0
[M+K]+	251.15202	150.5
[M+H-H2O]+	195.18612	144.1
[M+HCOO]-	257.18706	166.6
[M+CH3COO]-	271.20271	183.9
[M+Na-2H]-	233.16353	151.7
[M]+	212.18831	138.4
[M]-	212.18941	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe