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

1
Patents

250.14928 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.156556 148.4
[M+Na]+ 273.138498 151.5
[M-H]- 249.142004 147.4
[M+NH4]+ 268.183103 164.1
[M+K]+ 289.112438 154.3
[M+H-H2O]+ 233.146540 141.0
[M+HCOO]- 295.147481 161.9
[M+CH3COO]- 309.163131 193.1
[M+Na-2H]- 271.123946 151.7
[M]+ 250.14873142 139.1
[M]- 250.14982858 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

patents stripe