CID 146155161

2385587-28-8

Structural Information

Molecular Formula
C12H19F2NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C(CC1)(F)F
InChI
InChI=1S/C12H19F2NO3/c1-11(2,3)18-10(17)15-7-4-5-9(16)12(13,14)6-8-15/h4-8H2,1-3H3
InChIKey
ABLMDOHIIBKLEF-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-difluoro-5-oxoazocane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1333 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14058 163.3
[M+Na]+ 286.12252 168.1
[M-H]- 262.12602 163.4
[M+NH4]+ 281.16712 171.3
[M+K]+ 302.09646 168.5
[M+H-H2O]+ 246.13056 159.2
[M+HCOO]- 308.13150 169.5
[M+CH3COO]- 322.14715 227.1
[M+Na-2H]- 284.10797 161.7
[M]+ 263.13275 161.5
[M]- 263.13385 161.5
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.