CID 537088

Ethanone, 1-(2,2-dimethylcyclopentyl)-

Structural Information

Molecular Formula
C9H16O
SMILES
CC(=O)C1CCCC1(C)C
InChI
InChI=1S/C9H16O/c1-7(10)8-5-4-6-9(8,2)3/h8H,4-6H2,1-3H3
InChIKey
COQNBWSAGJABEB-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylcyclopentyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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 130.7
[M+Na]+ 163.109338 137.9
[M-H]- 139.112844 134.3
[M+NH4]+ 158.153943 156.3
[M+K]+ 179.083278 137.2
[M+H-H2O]+ 123.117380 126.9
[M+HCOO]- 185.118321 152.5
[M+CH3COO]- 199.133971 174.9
[M+Na-2H]- 161.094786 134.0
[M]+ 140.11957142 129.2
[M]- 140.12066858 129.2
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