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]+ 155.10666 134.8
[M+Na]+ 177.08860 140.4
[M-H]- 153.09210 138.2
[M+NH4]+ 172.13320 156.0
[M+K]+ 193.06254 140.3
[M+H-H2O]+ 137.09664 129.7
[M+HCOO]- 199.09758 156.0
[M+CH3COO]- 213.11323 175.2
[M+Na-2H]- 175.07405 138.5
[M]+ 154.09883 133.9
[M]- 154.09993 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.