CID 66469

1h-indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-

Structural Information

Molecular Formula

C₁₄H₂₀

SMILES

CC1=CC2=C(C=C1)C(CC2(C)C)(C)C

InChI

InChI=1S/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3

InChIKey

NNXHDILUOAXSPU-UHFFFAOYSA-N

Compound name

1,1,3,3,5-pentamethyl-2H-indene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
Patents: 188.1565 Da
Monoisotopic Mass: 4.9
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]+	189.16378	140.4
[M+Na]+	211.14572	151.0
[M-H]-	187.14922	146.0
[M+NH4]+	206.19032	168.1
[M+K]+	227.11966	147.6
[M+H-H2O]+	171.15376	136.6
[M+HCOO]-	233.15470	162.7
[M+CH3COO]-	247.17035	186.9
[M+Na-2H]-	209.13117	146.1
[M]+	188.15595	142.0
[M]-	188.15705	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe