CID 62475

3a,4,7,7a-tetrahydroindene

Structural Information

Molecular Formula

C₉H₁₂

SMILES

C1C=CCC2C1CC=C2

InChI

InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2

InChIKey

UFERIGCCDYCZLN-UHFFFAOYSA-N

Compound name

3a,4,7,7a-tetrahydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 9697
Patents: 120.0939 Da
Monoisotopic Mass: 2.6
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]+	121.10118	124.2
[M+Na]+	143.08312	136.4
[M+NH4]+	138.12772	135.4
[M+K]+	159.05706	130.4
[M-H]-	119.08662	127.6
[M+Na-2H]-	141.06857	130.8
[M]+	120.09335	126.9
[M]-	120.09445	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe