CID 45925711

Tetramethyl(n-propyl)cyclopentadiene

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

CCCC1C(=C(C(=C1C)C)C)C

InChI

InChI=1S/C12H20/c1-6-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3

InChIKey

SQGUQDKNIMNMLY-UHFFFAOYSA-N

Compound name

1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 164.1565 Da
Monoisotopic Mass: 2.9
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]+	165.16378	138.1
[M+Na]+	187.14572	151.0
[M+NH4]+	182.19032	147.6
[M+K]+	203.11966	145.3
[M-H]-	163.14922	140.8
[M+Na-2H]-	185.13117	143.4
[M]+	164.15595	140.8
[M]-	164.15705	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe