CID 167715618

Tert-butyl 6-(aminomethyl)-6-fluoro-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(CN)F
InChI
InChI=1S/C12H21FN2O2/c1-10(2,3)17-9(16)15-7-11(8-15)4-12(13,5-11)6-14/h4-8,14H2,1-3H3
InChIKey
ODJITMPZIYCATP-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-6-fluoro-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16598 160.3
[M+Na]+ 267.14792 163.8
[M-H]- 243.15142 162.7
[M+NH4]+ 262.19252 166.9
[M+K]+ 283.12186 168.1
[M+H-H2O]+ 227.15596 146.5
[M+HCOO]- 289.15690 173.6
[M+CH3COO]- 303.17255 204.8
[M+Na-2H]- 265.13337 162.9
[M]+ 244.15815 174.3
[M]- 244.15925 174.3
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.