CID 113863

Cyclopentanone, 2-(4-methylpentyl)-

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)CCCC1CCCC1=O
InChI
InChI=1S/C11H20O/c1-9(2)5-3-6-10-7-4-8-11(10)12/h9-10H,3-8H2,1-2H3
InChIKey
IGEXYHSUUVTDLS-UHFFFAOYSA-N
Compound name
2-(4-methylpentyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 141.8
[M+Na]+ 191.140628 147.1
[M-H]- 167.144134 144.6
[M+NH4]+ 186.185233 164.1
[M+K]+ 207.114568 145.7
[M+H-H2O]+ 151.148670 136.5
[M+HCOO]- 213.149611 162.8
[M+CH3COO]- 227.165261 181.4
[M+Na-2H]- 189.126076 142.7
[M]+ 168.15086142 140.6
[M]- 168.15195858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe