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]+ 169.085916 151.5
[M+Na]+ 191.067858 153.0
[M-H]- 167.071364 156.1
[M+NH4]+ 186.112463 151.0
[M+K]+ 207.041798 160.4
[M+H-H2O]+ 151.075900 138.2
[M+HCOO]- 213.076841 159.5
[M+CH3COO]- 227.092491 222.3
[M+Na-2H]- 189.053306 155.6
[M]+ 168.07809142 176.6
[M]- 168.07918858 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