CID 544190

1-isopropyl-2,3-dimethylcyclopentane

Structural Information

Molecular Formula

C₁₀H₂₀

SMILES

CC1CCC(C1C)C(C)C

InChI

InChI=1S/C10H20/c1-7(2)10-6-5-8(3)9(10)4/h7-10H,5-6H2,1-4H3

InChIKey

MKEWIKKSNRXXFU-UHFFFAOYSA-N

Compound name

1,2-dimethyl-3-propan-2-ylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 140.1565 Da
Monoisotopic Mass: 4.3
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]+	141.16378	133.9
[M+Na]+	163.14572	140.4
[M-H]-	139.14922	137.4
[M+NH4]+	158.19032	157.9
[M+K]+	179.11966	139.5
[M+H-H2O]+	123.15376	129.4
[M+HCOO]-	185.15470	154.9
[M+CH3COO]-	199.17035	178.5
[M+Na-2H]-	161.13117	134.8
[M]+	140.15595	132.1
[M]-	140.15705	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe