CID 139026424

2361644-03-1

Structural Information

Molecular Formula
C9H13F2NO2
SMILES
COC(=O)C1(CC2(C1)CC(C2)(F)F)N
InChI
InChI=1S/C9H13F2NO2/c1-14-6(13)8(12)2-7(3-8)4-9(10,11)5-7/h2-5,12H2,1H3
InChIKey
FTOQVGGTECPHTK-UHFFFAOYSA-N
Compound name
methyl 6-amino-2,2-difluorospiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09143 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09871 145.9
[M+Na]+ 228.08065 151.3
[M-H]- 204.08415 149.3
[M+NH4]+ 223.12525 156.7
[M+K]+ 244.05459 155.1
[M+H-H2O]+ 188.08869 133.9
[M+HCOO]- 250.08963 161.8
[M+CH3COO]- 264.10528 197.7
[M+Na-2H]- 226.06610 149.8
[M]+ 205.09088 158.6
[M]- 205.09198 158.6
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.