CID 83693038

Tert-butyl n-(4-amino-1,1,1-trifluorobutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NC(CCN)C(F)(F)F
InChI
InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-6(4-5-13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKey
LVUKWVZZNMFBTD-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1,1,1-trifluorobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1242 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13148 155.5
[M+Na]+ 265.11342 158.5
[M+NH4]+ 260.15802 158.3
[M+K]+ 281.08736 156.9
[M-H]- 241.11692 148.8
[M+Na-2H]- 263.09887 154.5
[M]+ 242.12365 153.3
[M]- 242.12475 153.3
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.