CID 558511

Cyclopentanone, 2-(1-methylpropyl)-

Structural Information

Molecular Formula
C9H16O
SMILES
CCC(C)C1CCCC1=O
InChI
InChI=1S/C9H16O/c1-3-7(2)8-5-4-6-9(8)10/h7-8H,3-6H2,1-2H3
InChIKey
WVPBKXPDHMXIKD-UHFFFAOYSA-N
Compound name
2-butan-2-ylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 132.4
[M+Na]+ 163.109338 138.6
[M-H]- 139.112844 135.6
[M+NH4]+ 158.153943 155.8
[M+K]+ 179.083278 137.7
[M+H-H2O]+ 123.117380 127.5
[M+HCOO]- 185.118321 154.1
[M+CH3COO]- 199.133971 175.3
[M+Na-2H]- 161.094786 134.4
[M]+ 140.11957142 130.5
[M]- 140.12066858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe