CID 78453

1,3,5,5-tetramethyl-1,3-cyclohexadiene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1=CC(=CC(C1)(C)C)C

InChI

InChI=1S/C10H16/c1-8-5-9(2)7-10(3,4)6-8/h5-6H,7H2,1-4H3

InChIKey

SZHAWDAGEJWQJK-UHFFFAOYSA-N

Compound name

1,3,5,5-tetramethylcyclohexa-1,3-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 108
Patents: 136.1252 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]+	137.13248	129.0
[M+Na]+	159.11442	142.9
[M+NH4]+	154.15902	140.7
[M+K]+	175.08836	133.6
[M-H]-	135.11792	132.6
[M+Na-2H]-	157.09987	138.0
[M]+	136.12465	132.4
[M]-	136.12575	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe