CID 165948478

3-(oxolan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1COCC1C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C10H14O3/c11-8(12)10-4-9(5-10,6-10)7-1-2-13-3-7/h7H,1-6H2,(H,11,12)
InChIKey
ZDAMNZQONSPAHG-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 145.1
[M+Na]+ 205.08352 147.1
[M-H]- 181.08702 150.0
[M+NH4]+ 200.12812 150.6
[M+K]+ 221.05746 153.4
[M+H-H2O]+ 165.09156 133.3
[M+HCOO]- 227.09250 155.7
[M+CH3COO]- 241.10815 206.0
[M+Na-2H]- 203.06897 150.5
[M]+ 182.09375 168.3
[M]- 182.09485 168.3
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.