CID 75481767

3-methyl-3-(propan-2-yl)cyclopentan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)C1(CCC(=O)C1)C
InChI
InChI=1S/C9H16O/c1-7(2)9(3)5-4-8(10)6-9/h7H,4-6H2,1-3H3
InChIKey
QFWSDYUUEJAIPS-UHFFFAOYSA-N
Compound name
3-methyl-3-propan-2-ylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.12012 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe