CID 84577

1,1,3,5-tetramethyl-1h-indene

Structural Information

Molecular Formula

C₁₃H₁₆

SMILES

CC1=CC2=C(C=C1)C(C=C2C)(C)C

InChI

InChI=1S/C13H16/c1-9-5-6-12-11(7-9)10(2)8-13(12,3)4/h5-8H,1-4H3

InChIKey

OIPWFYHULPYGNG-UHFFFAOYSA-N

Compound name

1,1,3,5-tetramethylindene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.1252 Da
Monoisotopic Mass: 3.9
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]+	173.13248	136.0
[M+Na]+	195.11442	147.1
[M-H]-	171.11792	141.8
[M+NH4]+	190.15902	162.4
[M+K]+	211.08836	143.6
[M+H-H2O]+	155.12246	131.8
[M+HCOO]-	217.12340	160.1
[M+CH3COO]-	231.13905	183.8
[M+Na-2H]-	193.09987	142.0
[M]+	172.12465	138.4
[M]-	172.12575	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe