CID 172639743

5-cyclopropyl-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CC1C23CC(C2)(COC3)C(=O)O
InChI
InChI=1S/C10H14O3/c11-8(12)10-3-9(4-10,5-13-6-10)7-1-2-7/h7H,1-6H2,(H,11,12)
InChIKey
QDPLJAWFJRDCTO-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.5
[M+Na]+ 205.08352 147.4
[M+NH4]+ 200.12812 149.8
[M+K]+ 221.05746 142.1
[M-H]- 181.08702 145.3
[M+Na-2H]- 203.06897 142.7
[M]+ 182.09375 143.1
[M]- 182.09485 143.1
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.