CID 498644

Pentamethylcyclopentadienyliron dicarbonyl dimer

Structural Information

Molecular Formula

C₁₀H₁₅

SMILES

CC1=C([C](C(=C1C)C)C)C

InChI

InChI=1S/C10H15/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3

InChIKey

CWGVZWICOCBBLO-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 135.11737 Da
Monoisotopic Mass: 1.9
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]+	136.12465	126.5
[M+Na]+	158.10659	137.4
[M-H]-	134.11009	131.5
[M+NH4]+	153.15119	151.7
[M+K]+	174.08053	135.6
[M+H-H2O]+	118.11463	122.7
[M+HCOO]-	180.11557	151.6
[M+CH3COO]-	194.13122	179.2
[M+Na-2H]-	156.09204	129.7
[M]+	135.11682	129.1
[M]-	135.11792	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.