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]+ 141.12740 130.7
[M+Na]+ 163.10934 137.9
[M-H]- 139.11284 134.3
[M+NH4]+ 158.15394 156.3
[M+K]+ 179.08328 137.2
[M+H-H2O]+ 123.11738 126.9
[M+HCOO]- 185.11832 152.5
[M+CH3COO]- 199.13397 174.9
[M+Na-2H]- 161.09479 134.0
[M]+ 140.11957 129.2
[M]- 140.12067 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