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

1
Patents

171.08954 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 137.6
[M+Na]+ 194.078758 143.0
[M-H]- 170.082264 139.4
[M+NH4]+ 189.123363 159.1
[M+K]+ 210.052698 142.3
[M+H-H2O]+ 154.086800 132.8
[M+HCOO]- 216.087741 154.1
[M+CH3COO]- 230.103391 169.3
[M+Na-2H]- 192.064206 140.3
[M]+ 171.08899142 131.7
[M]- 171.09008858 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

patents stripe