CID 116538468

3-methyl-3-(2-methylbutyl)cyclopentan-1-one

Structural Information

Molecular Formula
C11H20O
SMILES
CCC(C)CC1(CCC(=O)C1)C
InChI
InChI=1S/C11H20O/c1-4-9(2)7-11(3)6-5-10(12)8-11/h9H,4-8H2,1-3H3
InChIKey
JEPGBXHLDVDXFH-UHFFFAOYSA-N
Compound name
3-methyl-3-(2-methylbutyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 140.0
[M+Na]+ 191.14063 146.3
[M-H]- 167.14413 143.2
[M+NH4]+ 186.18523 164.4
[M+K]+ 207.11457 145.1
[M+H-H2O]+ 151.14867 135.8
[M+HCOO]- 213.14961 161.1
[M+CH3COO]- 227.16526 180.9
[M+Na-2H]- 189.12608 142.2
[M]+ 168.15086 139.2
[M]- 168.15196 139.2
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.