CID 520353

(nitromethylene)cyclopentane

Structural Information

Molecular Formula

SMILES

C1CCC(=C[N+](=O)[O-])C1

InChI

InChI=1S/C6H9NO2/c8-7(9)5-6-3-1-2-4-6/h5H,1-4H2

InChIKey

FCFLHKHBKPPQQY-UHFFFAOYSA-N

Compound name

nitromethylidenecyclopentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 127.06333 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]+	128.07061	126.7
[M+Na]+	150.05255	132.5
[M-H]-	126.05605	129.9
[M+NH4]+	145.09715	149.5
[M+K]+	166.02649	127.8
[M+H-H2O]+	110.06059	126.3
[M+HCOO]-	172.06153	151.4
[M+CH3COO]-	186.07718	162.8
[M+Na-2H]-	148.03800	133.0
[M]+	127.06278	121.4
[M]-	127.06388	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe