CID 105463810

Tert-butyl n-(2-amino-3,3-difluoropropyl)carbamate

Structural Information

Molecular Formula
C8H16F2N2O2
SMILES
CC(C)(C)OC(=O)NCC(C(F)F)N
InChI
InChI=1S/C8H16F2N2O2/c1-8(2,3)14-7(13)12-4-5(11)6(9)10/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKey
ZENXXTVRIUOAMU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-3,3-difluoropropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11798 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.125256 146.9
[M+Na]+ 233.107198 151.8
[M-H]- 209.110704 143.9
[M+NH4]+ 228.151803 164.8
[M+K]+ 249.081138 152.0
[M+H-H2O]+ 193.115240 139.8
[M+HCOO]- 255.116181 165.5
[M+CH3COO]- 269.131831 191.8
[M+Na-2H]- 231.092646 147.9
[M]+ 210.11743142 143.2
[M]- 210.11852858 143.2
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.