CID 19751

Isopropylcyclopentane

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CC(C)C1CCCC1

InChI

InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3

InChIKey

TVSBRLGQVHJIKT-UHFFFAOYSA-N

Compound name

propan-2-ylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3410
Patents: 112.1252 Da
Monoisotopic Mass: 3.8
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]+	113.13248	126.3
[M+Na]+	135.11442	136.3
[M+NH4]+	130.15902	136.2
[M+K]+	151.08836	131.8
[M-H]-	111.11792	128.4
[M+Na-2H]-	133.09987	131.2
[M]+	112.12465	128.2
[M]-	112.12575	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe