CID 142539

41539-64-4

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1=CC(C(=C1C)C)(C)C

InChI

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

InChIKey

ICWJGNMBERNILD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 74
References: 3275
Patents: 136.1252 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]+	137.13248	128.6
[M+Na]+	159.11442	141.7
[M+NH4]+	154.15902	139.9
[M+K]+	175.08836	134.7
[M-H]-	135.11792	131.3
[M+Na-2H]-	157.09987	136.3
[M]+	136.12465	131.5
[M]-	136.12575	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe