CID 521452

(2-methylbutylidene)cyclopentane

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCC(C)C=C1CCCC1

InChI

InChI=1S/C10H18/c1-3-9(2)8-10-6-4-5-7-10/h8-9H,3-7H2,1-2H3

InChIKey

WEDHOVYBLBZKQA-UHFFFAOYSA-N

Compound name

2-methylbutylidenecyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 138.14085 Da
Monoisotopic Mass: 3.6
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]+	139.148126	135.1
[M+Na]+	161.130068	140.0
[M-H]-	137.133574	137.7
[M+NH4]+	156.174673	158.4
[M+K]+	177.104008	138.5
[M+H-H2O]+	121.138110	129.8
[M+HCOO]-	183.139051	156.2
[M+CH3COO]-	197.154701	174.7
[M+Na-2H]-	159.115516	137.1
[M]+	138.14030142	131.6
[M]-	138.14139858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe