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 147.4
[M+Na]+ 205.08352 153.8
[M-H]- 181.08702 149.8
[M+NH4]+ 200.12812 161.7
[M+K]+ 221.05746 156.1
[M+H-H2O]+ 165.09156 139.1
[M+HCOO]- 227.09250 157.0
[M+CH3COO]- 241.10815 157.9
[M+Na-2H]- 203.06897 158.2
[M]+ 182.09375 160.3
[M]- 182.09485 160.3
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.