CID 114453

3-methyl-2-pentylcyclopentan-1-one

Structural Information

Molecular Formula
C11H20O
SMILES
CCCCCC1C(CCC1=O)C
InChI
InChI=1S/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3
InChIKey
ZISGOYMWXFOWAM-UHFFFAOYSA-N
Compound name
3-methyl-2-pentylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1155
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.3
[M+Na]+ 191.14063 146.9
[M-H]- 167.14413 143.4
[M+NH4]+ 186.18523 163.0
[M+K]+ 207.11457 145.0
[M+H-H2O]+ 151.14867 135.3
[M+HCOO]- 213.14961 162.3
[M+CH3COO]- 227.16526 181.7
[M+Na-2H]- 189.12608 141.9
[M]+ 168.15086 140.2
[M]- 168.15196 140.2
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

No patent data available for this compound.