CID 167715151

Tert-butyl n-{3-amino-2,2-difluorobicyclo[1.1.1]pentan-1-yl}carbamate

Structural Information

Molecular Formula
C10H16F2N2O2
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(C2(F)F)N
InChI
InChI=1S/C10H16F2N2O2/c1-7(2,3)16-6(15)14-9-4-8(13,5-9)10(9,11)12/h4-5,13H2,1-3H3,(H,14,15)
InChIKey
OXLHPQZPNXGFNO-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-2,2-difluoro-1-bicyclo[1.1.1]pentanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12526 186.6
[M+Na]+ 257.10720 189.3
[M-H]- 233.11070 187.3
[M+NH4]+ 252.15180 191.5
[M+K]+ 273.08114 194.8
[M+H-H2O]+ 217.11524 172.5
[M+HCOO]- 279.11618 196.0
[M+CH3COO]- 293.13183 219.1
[M+Na-2H]- 255.09265 189.6
[M]+ 234.11743 208.5
[M]- 234.11853 208.5
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.