CID 167721749

Tert-butyl 1,1-difluoro-4,7-diazaspiro[2.5]octane-4-carboxylate

Structural Information

Molecular Formula
C11H18F2N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC12CC2(F)F
InChI
InChI=1S/C11H18F2N2O2/c1-9(2,3)17-8(16)15-5-4-14-7-10(15)6-11(10,12)13/h14H,4-7H2,1-3H3
InChIKey
IGGURDGHUOEXFV-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-difluoro-4,7-diazaspiro[2.5]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13364 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14092 160.8
[M+Na]+ 271.12286 169.4
[M-H]- 247.12636 160.6
[M+NH4]+ 266.16746 174.3
[M+K]+ 287.09680 167.3
[M+H-H2O]+ 231.13090 154.0
[M+HCOO]- 293.13184 172.0
[M+CH3COO]- 307.14749 191.3
[M+Na-2H]- 269.10831 165.0
[M]+ 248.13309 158.2
[M]- 248.13419 158.2
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.