CID 18467840

2-prop-2-enyloxolane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C=CCC1(CCCO1)C(=O)O
InChI
InChI=1S/C8H12O3/c1-2-4-8(7(9)10)5-3-6-11-8/h2H,1,3-6H2,(H,9,10)
InChIKey
XHQFPHVLHSOMJX-UHFFFAOYSA-N
Compound name
2-prop-2-enyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

156.07864 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.6
[M+Na]+ 179.06786 139.0
[M-H]- 155.07136 135.1
[M+NH4]+ 174.11246 154.9
[M+K]+ 195.04180 138.8
[M+H-H2O]+ 139.07590 128.7
[M+HCOO]- 201.07684 152.8
[M+CH3COO]- 215.09249 171.1
[M+Na-2H]- 177.05331 137.6
[M]+ 156.07809 131.2
[M]- 156.07919 131.2
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

patents stripe