CID 574327

5-butyl-3-methoxy-2-cyclopenten-1-one

Structural Information

Molecular Formula
C10H16O2
SMILES
CCCCC1CC(=CC1=O)OC
InChI
InChI=1S/C10H16O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h7-8H,3-6H2,1-2H3
InChIKey
CONTYKWBFDNXFF-UHFFFAOYSA-N
Compound name
5-butyl-3-methoxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 136.6
[M+Na]+ 191.104258 144.6
[M-H]- 167.107764 140.3
[M+NH4]+ 186.148863 159.4
[M+K]+ 207.078198 143.3
[M+H-H2O]+ 151.112300 131.6
[M+HCOO]- 213.113241 160.7
[M+CH3COO]- 227.128891 180.3
[M+Na-2H]- 189.089706 139.8
[M]+ 168.11449142 139.1
[M]- 168.11558858 139.1
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

No patent data available for this compound.