CID 101412043

Cis-6-nitro-p-mentha-1(7),2-diene

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(C)C1CC(C(=C)C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9-10H,3,6H2,1-2H3

InChIKey

VJPVONZUZIQQIH-UHFFFAOYSA-N

Compound name

3-methylidene-4-nitro-6-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 Da
Monoisotopic Mass: 2.8
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]+	182.11756	139.4
[M+Na]+	204.09950	145.3
[M-H]-	180.10300	142.8
[M+NH4]+	199.14410	158.8
[M+K]+	220.07344	139.8
[M+H-H2O]+	164.10754	138.8
[M+HCOO]-	226.10848	161.2
[M+CH3COO]-	240.12413	178.4
[M+Na-2H]-	202.08495	143.3
[M]+	181.10973	135.2
[M]-	181.11083	135.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.