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]+ 157.085916 132.6
[M+Na]+ 179.067858 139.0
[M-H]- 155.071364 135.1
[M+NH4]+ 174.112463 154.9
[M+K]+ 195.041798 138.8
[M+H-H2O]+ 139.075900 128.7
[M+HCOO]- 201.076841 152.8
[M+CH3COO]- 215.092491 171.1
[M+Na-2H]- 177.053306 137.6
[M]+ 156.07809142 131.2
[M]- 156.07918858 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