CID 85861579

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

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)CC1(CCC(=O)C1)C
InChI
InChI=1S/C10H18O/c1-8(2)6-10(3)5-4-9(11)7-10/h8H,4-7H2,1-3H3
InChIKey
XEJRYIVNUWHTSL-UHFFFAOYSA-N
Compound name
3-methyl-3-(2-methylpropyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.4
[M+Na]+ 177.124988 142.1
[M-H]- 153.128494 138.8
[M+NH4]+ 172.169593 160.4
[M+K]+ 193.098928 141.1
[M+H-H2O]+ 137.133030 131.4
[M+HCOO]- 199.133971 156.8
[M+CH3COO]- 213.149621 177.9
[M+Na-2H]- 175.110436 138.2
[M]+ 154.13522142 134.2
[M]- 154.13631858 134.2
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.