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]+ 211.12526 146.9
[M+Na]+ 233.10720 151.8
[M-H]- 209.11070 143.9
[M+NH4]+ 228.15180 164.8
[M+K]+ 249.08114 152.0
[M+H-H2O]+ 193.11524 139.8
[M+HCOO]- 255.11618 165.5
[M+CH3COO]- 269.13183 191.8
[M+Na-2H]- 231.09265 147.9
[M]+ 210.11743 143.2
[M]- 210.11853 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.