CID 138990985

2309446-36-2

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C(CC12CNC2)CC(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)1-6-2-8(3-6)4-9-5-8/h6,9H,1-5H2,(H,10,11)
InChIKey
WWIYMGMCVWCWTO-UHFFFAOYSA-N
Compound name
2-(2-azaspiro[3.3]heptan-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 130.8
[M+Na]+ 178.083858 134.2
[M-H]- 154.087364 132.3
[M+NH4]+ 173.128463 137.8
[M+K]+ 194.057798 138.0
[M+H-H2O]+ 138.091900 117.3
[M+HCOO]- 200.092841 145.1
[M+CH3COO]- 214.108491 184.3
[M+Na-2H]- 176.069306 135.3
[M]+ 155.09409142 143.1
[M]- 155.09518858 143.1
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.