CID 63939222

2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1COCC12CNCC2C(=O)O
InChI
InChI=1S/C8H13NO3/c10-7(11)6-3-9-4-8(6)1-2-12-5-8/h6,9H,1-5H2,(H,10,11)
InChIKey
PBHNFNXCFFXFHC-UHFFFAOYSA-N
Compound name
2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.6
[M+Na]+ 194.07876 143.0
[M-H]- 170.08226 139.4
[M+NH4]+ 189.12336 159.1
[M+K]+ 210.05270 142.3
[M+H-H2O]+ 154.08680 132.8
[M+HCOO]- 216.08774 154.1
[M+CH3COO]- 230.10339 169.3
[M+Na-2H]- 192.06421 140.3
[M]+ 171.08899 131.7
[M]- 171.09009 131.7
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.