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]+ 183.101576 147.4
[M+Na]+ 205.083518 153.8
[M-H]- 181.087024 149.8
[M+NH4]+ 200.128123 161.7
[M+K]+ 221.057458 156.1
[M+H-H2O]+ 165.091560 139.1
[M+HCOO]- 227.092501 157.0
[M+CH3COO]- 241.108151 157.9
[M+Na-2H]- 203.068966 158.2
[M]+ 182.09375142 160.3
[M]- 182.09484858 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.