CID 84716617

1-(oxolan-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC(OC1)C2(CC2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)8(3-4-8)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)
InChIKey
PKEBYMZDMLQXAP-UHFFFAOYSA-N
Compound name
1-(oxolan-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.6
[M+Na]+ 179.06786 138.6
[M-H]- 155.07136 137.4
[M+NH4]+ 174.11246 148.0
[M+K]+ 195.04180 138.6
[M+H-H2O]+ 139.07590 126.2
[M+HCOO]- 201.07684 150.4
[M+CH3COO]- 215.09249 174.4
[M+Na-2H]- 177.05331 136.2
[M]+ 156.07809 131.5
[M]- 156.07919 131.5
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.