CID 145915368

2402830-22-0

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CO2)C(CC1)(F)F
InChI
InChI=1S/C12H19F2NO3/c1-10(2,3)18-9(16)15-6-4-11(8-17-11)12(13,14)5-7-15/h4-8H2,1-3H3
InChIKey
DZRDQKQHWNCQRF-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-difluoro-1-oxa-7-azaspiro[2.6]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 146.2
[M+Na]+ 286.12252 152.6
[M-H]- 262.12602 150.2
[M+NH4]+ 281.16712 158.7
[M+K]+ 302.09646 156.7
[M+H-H2O]+ 246.13056 139.5
[M+HCOO]- 308.13150 158.7
[M+CH3COO]- 322.14715 197.0
[M+Na-2H]- 284.10797 152.1
[M]+ 263.13275 144.2
[M]- 263.13385 144.2
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.