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]+ 184.096816 137.8
[M+Na]+ 206.078758 143.2
[M-H]- 182.082264 139.8
[M+NH4]+ 201.123363 156.1
[M+K]+ 222.052698 144.4
[M+H-H2O]+ 166.086800 130.6
[M+HCOO]- 228.087741 152.0
[M+CH3COO]- 242.103391 176.8
[M+Na-2H]- 204.064206 143.1
[M]+ 183.08899142 143.4
[M]- 183.09008858 143.4
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.