CID 523106

1,1,5,6-tetramethyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₃H₁₈

SMILES

CC1=CC2=C(C=C1C)C(CC2)(C)C

InChI

InChI=1S/C13H18/c1-9-7-11-5-6-13(3,4)12(11)8-10(9)2/h7-8H,5-6H2,1-4H3

InChIKey

SOVJMXNIZUPIFE-UHFFFAOYSA-N

Compound name

3,3,5,6-tetramethyl-1,2-dihydroindene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 174.14085 Da
Monoisotopic Mass: 4.4
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]+	175.148126	137.8
[M+Na]+	197.130068	147.8
[M-H]-	173.133574	143.1
[M+NH4]+	192.174673	164.0
[M+K]+	213.104008	144.5
[M+H-H2O]+	157.138110	133.6
[M+HCOO]-	219.139051	160.4
[M+CH3COO]-	233.154701	184.2
[M+Na-2H]-	195.115516	142.8
[M]+	174.14030142	138.7
[M]-	174.14139858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe