CID 77667

1,2,3,4,5-pentamethylcyclopentadiene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1C(=C(C(=C1C)C)C)C

InChI

InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3

InChIKey

WQIQNKQYEUMPBM-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentamethylcyclopenta-1,3-diene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 6869
Patents: 136.1252 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]+	137.13248	126.8
[M+Na]+	159.11442	137.6
[M-H]-	135.11792	131.7
[M+NH4]+	154.15902	151.9
[M+K]+	175.08836	135.8
[M+H-H2O]+	119.12246	122.9
[M+HCOO]-	181.12340	151.8
[M+CH3COO]-	195.13905	179.2
[M+Na-2H]-	157.09987	129.8
[M]+	136.12465	129.3
[M]-	136.12575	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe