CID 132312950

2137707-29-8

Structural Information

Molecular Formula
C10H17F5N2O2
SMILES
CC(C)(C)OC(=O)NCC(C(C(F)(F)F)(F)F)NC
InChI
InChI=1S/C10H17F5N2O2/c1-8(2,3)19-7(18)17-5-6(16-4)9(11,12)10(13,14)15/h6,16H,5H2,1-4H3,(H,17,18)
InChIKey
MGGXOPMOCWFTAB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3,3,4,4,4-pentafluoro-2-(methylamino)butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12831 160.9
[M+Na]+ 315.11025 166.3
[M-H]- 291.11375 154.6
[M+NH4]+ 310.15485 175.8
[M+K]+ 331.08419 165.6
[M+H-H2O]+ 275.11829 152.0
[M+HCOO]- 337.11923 174.2
[M+CH3COO]- 351.13488 206.2
[M+Na-2H]- 313.09570 163.7
[M]+ 292.12048 154.4
[M]- 292.12158 154.4
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.