CID 169664696

2994335-99-6

Structural Information

Molecular Formula
C5H11F2N
SMILES
C[C@H](C(C)(F)F)NC
InChI
InChI=1S/C5H11F2N/c1-4(8-3)5(2,6)7/h4,8H,1-3H3/t4-/m1/s1
InChIKey
PPPBECBEQMTIME-SCSAIBSYSA-N
Compound name
(2R)-3,3-difluoro-N-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

123.08595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.093226 123.2
[M+Na]+ 146.075168 130.3
[M-H]- 122.078674 121.2
[M+NH4]+ 141.119773 145.4
[M+K]+ 162.049108 130.3
[M+H-H2O]+ 106.083210 117.5
[M+HCOO]- 168.084151 143.7
[M+CH3COO]- 182.099801 175.6
[M+Na-2H]- 144.060616 129.2
[M]+ 123.08540142 119.6
[M]- 123.08649858 119.6
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

patents stripe