CID 167718790

Tert-butyl n-[(2s)-1-amino-5,5-difluoropentan-2-yl]carbamate

Structural Information

Molecular Formula
C10H20F2N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(F)F)CN
InChI
InChI=1S/C10H20F2N2O2/c1-10(2,3)16-9(15)14-7(6-13)4-5-8(11)12/h7-8H,4-6,13H2,1-3H3,(H,14,15)/t7-/m0/s1
InChIKey
OAQPLTFQPYNSRA-ZETCQYMHSA-N
Compound name
tert-butyl N-[(2S)-1-amino-5,5-difluoropentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14928 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15656 156.2
[M+Na]+ 261.13850 160.3
[M-H]- 237.14200 152.9
[M+NH4]+ 256.18310 173.0
[M+K]+ 277.11244 160.0
[M+H-H2O]+ 221.14654 148.8
[M+HCOO]- 283.14748 174.1
[M+CH3COO]- 297.16313 197.8
[M+Na-2H]- 259.12395 156.2
[M]+ 238.14873 153.3
[M]- 238.14983 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.