CID 165878491

5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CC2(C1)CNC(CO2)C(=O)O
InChI
InChI=1S/C8H13NO3/c10-7(11)6-4-12-8(5-9-6)2-1-3-8/h6,9H,1-5H2,(H,10,11)
InChIKey
CNQRQHZLLYHFBF-UHFFFAOYSA-N
Compound name
5-oxa-8-azaspiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 133.4
[M+Na]+ 194.078758 137.0
[M-H]- 170.082264 134.9
[M+NH4]+ 189.123363 145.0
[M+K]+ 210.052698 139.6
[M+H-H2O]+ 154.086800 123.0
[M+HCOO]- 216.087741 146.9
[M+CH3COO]- 230.103391 174.8
[M+Na-2H]- 192.064206 139.2
[M]+ 171.08899142 136.0
[M]- 171.09008858 136.0
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.