CID 15431

Ethylcyclopentane

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CCC1CCCC1

InChI

InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3

InChIKey

IFTRQJLVEBNKJK-UHFFFAOYSA-N

Compound name

ethylcyclopentane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 35439
Patents: 98.10955 Da
Monoisotopic Mass: 3.5
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]+	99.116826	121.6
[M+Na]+	121.09877	127.6
[M-H]-	97.102274	124.6
[M+NH4]+	116.14337	146.5
[M+K]+	137.07271	127.1
[M+H-H2O]+	81.106810	116.8
[M+HCOO]-	143.10775	144.5
[M+CH3COO]-	157.12340	166.4
[M+Na-2H]-	119.08422	126.5
[M]+	98.109001	118.5
[M]-	98.110099	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe