CID 643587

Cis-hydrindane

Structural Information

Molecular Formula

C₉H₁₆

SMILES

C1CC[C@H]2CCC[C@H]2C1

InChI

InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+

InChIKey

BNRNAKTVFSZAFA-DTORHVGOSA-N

Compound name

(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 42
References: 20479
Patents: 124.1252 Da
Monoisotopic Mass: 4.1
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]+	125.13248	128.0
[M+Na]+	147.11442	132.6
[M-H]-	123.11792	131.3
[M+NH4]+	142.15902	152.7
[M+K]+	163.08836	131.0
[M+H-H2O]+	107.12246	122.9
[M+HCOO]-	169.12340	147.4
[M+CH3COO]-	183.13905	170.4
[M+Na-2H]-	145.09987	132.7
[M]+	124.12465	121.5
[M]-	124.12575	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe