CID 6245875

98431-67-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

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

InChI

InChI=1S/C7H11NO2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2/b6-5+

InChIKey

QJUJQXPQQYTYQZ-AATRIKPKSA-N

Compound name

[(E)-2-nitroethenyl]cyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.07898 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]+	142.08626	131.5
[M+Na]+	164.06820	137.0
[M-H]-	140.07170	134.6
[M+NH4]+	159.11280	153.8
[M+K]+	180.04214	131.9
[M+H-H2O]+	124.07624	131.0
[M+HCOO]-	186.07718	155.9
[M+CH3COO]-	200.09283	165.9
[M+Na-2H]-	162.05365	137.3
[M]+	141.07843	126.6
[M]-	141.07953	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe