CID 83814959

1400877-45-3

Structural Information

Molecular Formula
C5H12FN
SMILES
C[C@@H](C(C)(C)F)N
InChI
InChI=1S/C5H12FN/c1-4(7)5(2,3)6/h4H,7H2,1-3H3/t4-/m0/s1
InChIKey
OXVLZOYJHJXSBM-BYPYZUCNSA-N
Compound name
(2S)-3-fluoro-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

105.095375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.10265 121.1
[M+Na]+ 128.08459 128.2
[M-H]- 104.08810 120.1
[M+NH4]+ 123.12920 143.9
[M+K]+ 144.05853 128.3
[M+H-H2O]+ 88.092635 116.5
[M+HCOO]- 150.09358 142.1
[M+CH3COO]- 164.10923 172.1
[M+Na-2H]- 126.07004 126.7
[M]+ 105.09483 117.8
[M]- 105.09592 117.8
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.