CID 145915745

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

Structural Information

Molecular Formula
C9H12O3
SMILES
C1C(CO1)C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C9H12O3/c10-7(11)9-3-8(4-9,5-9)6-1-12-2-6/h6H,1-5H2,(H,10,11)
InChIKey
FEYNTLCBPRNIIQ-UHFFFAOYSA-N
Compound name
3-(oxetan-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 151.5
[M+Na]+ 191.06786 153.0
[M-H]- 167.07136 156.1
[M+NH4]+ 186.11246 151.0
[M+K]+ 207.04180 160.4
[M+H-H2O]+ 151.07590 138.2
[M+HCOO]- 213.07684 159.5
[M+CH3COO]- 227.09249 222.3
[M+Na-2H]- 189.05331 155.6
[M]+ 168.07809 176.6
[M]- 168.07919 176.6
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

patents stripe