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]+ 169.15869 141.8
[M+Na]+ 191.14063 147.1
[M-H]- 167.14413 144.6
[M+NH4]+ 186.18523 164.1
[M+K]+ 207.11457 145.7
[M+H-H2O]+ 151.14867 136.5
[M+HCOO]- 213.14961 162.8
[M+CH3COO]- 227.16526 181.4
[M+Na-2H]- 189.12608 142.7
[M]+ 168.15086 140.6
[M]- 168.15196 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