CID 167724396

3'-oxaspiro[azetidine-3,2'-bicyclo[2.2.1]heptane]-1'-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H13NO3
SMILES
C1CC2(CC1OC23CNC3)C(=O)O
InChI
InChI=1S/C9H13NO3/c11-7(12)8-2-1-6(3-8)13-9(8)4-10-5-9/h6,10H,1-5H2,(H,11,12)
InChIKey
JMZSMAVNKWMUGM-UHFFFAOYSA-N
Compound name
spiro[2-oxabicyclo[2.2.1]heptane-3,3'-azetidine]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 140.4
[M+Na]+ 206.07876 142.6
[M+NH4]+ 201.12336 146.8
[M+K]+ 222.05270 141.3
[M-H]- 182.08226 137.2
[M+Na-2H]- 204.06421 140.0
[M]+ 183.08899 138.5
[M]- 183.09009 138.5
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.