CID 12704401

1-(oxolan-2-yl)pent-4-en-1-one

Structural Information

Molecular Formula
C9H14O2
SMILES
C=CCCC(=O)C1CCCO1
InChI
InChI=1S/C9H14O2/c1-2-3-5-8(10)9-6-4-7-11-9/h2,9H,1,3-7H2
InChIKey
RZVGXTRRMBCUFC-UHFFFAOYSA-N
Compound name
1-(oxolan-2-yl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.8
[M+Na]+ 177.088598 140.4
[M-H]- 153.092104 138.2
[M+NH4]+ 172.133203 156.0
[M+K]+ 193.062538 140.3
[M+H-H2O]+ 137.096640 129.7
[M+HCOO]- 199.097581 156.0
[M+CH3COO]- 213.113231 175.2
[M+Na-2H]- 175.074046 138.5
[M]+ 154.09883142 133.9
[M]- 154.09992858 133.9
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.