CID 131081554

2137577-93-4

Structural Information

Molecular Formula
C8H12FNO2
SMILES
C1CC2(C1)CNCC2(C(=O)O)F
InChI
InChI=1S/C8H12FNO2/c9-8(6(11)12)5-10-4-7(8)2-1-3-7/h10H,1-5H2,(H,11,12)
InChIKey
GITCKFHFBDGNIW-UHFFFAOYSA-N
Compound name
8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0852 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.092476 137.5
[M+Na]+ 196.074418 143.0
[M-H]- 172.077924 138.0
[M+NH4]+ 191.119023 154.2
[M+K]+ 212.048358 143.2
[M+H-H2O]+ 156.082460 128.3
[M+HCOO]- 218.083401 152.7
[M+CH3COO]- 232.099051 174.8
[M+Na-2H]- 194.059866 141.3
[M]+ 173.08465142 139.4
[M]- 173.08574858 139.4
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.