CID 138040249

2243510-17-8

Structural Information

Molecular Formula
C8H11F2NO2
SMILES
COC(=O)C1C2(CCN1)CC2(F)F
InChI
InChI=1S/C8H11F2NO2/c1-13-6(12)5-7(2-3-11-5)4-8(7,9)10/h5,11H,2-4H2,1H3
InChIKey
JRHXSPUDQRGQPW-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-5-azaspiro[2.4]heptane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08307 138.1
[M+Na]+ 214.06501 148.4
[M-H]- 190.06851 139.8
[M+NH4]+ 209.10961 156.6
[M+K]+ 230.03895 146.1
[M+H-H2O]+ 174.07305 132.5
[M+HCOO]- 236.07399 155.0
[M+CH3COO]- 250.08964 180.7
[M+Na-2H]- 212.05046 142.2
[M]+ 191.07524 136.6
[M]- 191.07634 136.6
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.