CID 85824

2-butyl-5-methylcyclopent-2-en-1-one

Structural Information

Molecular Formula
C10H16O
SMILES
CCCCC1=CCC(C1=O)C
InChI
InChI=1S/C10H16O/c1-3-4-5-9-7-6-8(2)10(9)11/h7-8H,3-6H2,1-2H3
InChIKey
PUNCRTDTFWXUBN-UHFFFAOYSA-N
Compound name
2-butyl-5-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.4
[M+Na]+ 175.109338 141.5
[M-H]- 151.112844 137.1
[M+NH4]+ 170.153943 156.9
[M+K]+ 191.083278 139.7
[M+H-H2O]+ 135.117380 128.6
[M+HCOO]- 197.118321 157.3
[M+CH3COO]- 211.133971 178.3
[M+Na-2H]- 173.094786 136.6
[M]+ 152.11957142 134.5
[M]- 152.12066858 134.5
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