CID 135396097

Tert-butyl n-(5,5-difluoroazepan-4-yl)carbamate

Structural Information

Molecular Formula
C11H20F2N2O2
SMILES
CC(C)(C)OC(=O)NC1CCNCCC1(F)F
InChI
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-8-4-6-14-7-5-11(8,12)13/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKey
MGZSHNFZZFGRPG-UHFFFAOYSA-N
Compound name
tert-butyl N-(5,5-difluoroazepan-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14928 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15656 148.4
[M+Na]+ 273.13850 151.5
[M-H]- 249.14200 147.4
[M+NH4]+ 268.18310 164.1
[M+K]+ 289.11244 154.3
[M+H-H2O]+ 233.14654 141.0
[M+HCOO]- 295.14748 161.9
[M+CH3COO]- 309.16313 193.1
[M+Na-2H]- 271.12395 151.7
[M]+ 250.14873 139.1
[M]- 250.14983 139.1
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.