CID 13664561

2-(prop-2-en-1-yl)oxolan-3-one

Structural Information

Molecular Formula
C7H10O2
SMILES
C=CCC1C(=O)CCO1
InChI
InChI=1S/C7H10O2/c1-2-3-7-6(8)4-5-9-7/h2,7H,1,3-5H2
InChIKey
DPMBZFWUEMTXKU-UHFFFAOYSA-N
Compound name
2-prop-2-enyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

126.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 123.8
[M+Na]+ 149.05730 131.5
[M-H]- 125.06080 127.9
[M+NH4]+ 144.10190 146.5
[M+K]+ 165.03124 131.4
[M+H-H2O]+ 109.06534 119.4
[M+HCOO]- 171.06628 146.7
[M+CH3COO]- 185.08193 169.4
[M+Na-2H]- 147.04275 129.3
[M]+ 126.06753 123.3
[M]- 126.06863 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe