CID 21116778

56039-55-5

Structural Information

Molecular Formula

C₇H₁₂

SMILES

C[C@@H]1CC=C[C@@H]1C

InChI

InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m0/s1

InChIKey

JOVGLRSLWFSVNB-NKWVEPMBSA-N

Compound name

(3R,4R)-3,4-dimethylcyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 96.0939 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]+	97.101176	118.2
[M+Na]+	119.083118	126.4
[M-H]-	95.086624	122.1
[M+NH4]+	114.127723	143.8
[M+K]+	135.057058	125.6
[M+H-H2O]+	79.091160	113.9
[M+HCOO]-	141.092101	142.7
[M+CH3COO]-	155.107751	167.1
[M+Na-2H]-	117.068566	123.7
[M]+	96.09335142	117.0
[M]-	96.09444858	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.