CID 13045271

3-(3-butenyl)cyclopentanone

Structural Information

Molecular Formula
C9H14O
SMILES
C=CCCC1CCC(=O)C1
InChI
InChI=1S/C9H14O/c1-2-3-4-8-5-6-9(10)7-8/h2,8H,1,3-7H2
InChIKey
SOVGSPFMASGWMT-UHFFFAOYSA-N
Compound name
3-but-3-enylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.5
[M+Na]+ 161.09368 137.3
[M-H]- 137.09718 133.7
[M+NH4]+ 156.13828 154.1
[M+K]+ 177.06762 135.4
[M+H-H2O]+ 121.10172 125.7
[M+HCOO]- 183.10266 153.5
[M+CH3COO]- 197.11831 173.6
[M+Na-2H]- 159.07913 133.8
[M]+ 138.10391 128.7
[M]- 138.10501 128.7
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.