CID 139017476

2344685-69-2

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2(C1)CC(CN2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)6-4-8(9-5-6)2-1-3-8/h6,9H,1-5H2,(H,10,11)
InChIKey
CSZKJCOOCVANTQ-UHFFFAOYSA-N
Compound name
5-azaspiro[3.4]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.1
[M+Na]+ 178.08386 137.6
[M-H]- 154.08736 134.5
[M+NH4]+ 173.12846 148.6
[M+K]+ 194.05780 138.3
[M+H-H2O]+ 138.09190 123.6
[M+HCOO]- 200.09284 149.4
[M+CH3COO]- 214.10849 172.4
[M+Na-2H]- 176.06931 136.5
[M]+ 155.09409 135.7
[M]- 155.09519 135.7
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.