CID 155820252

2567494-32-8

Structural Information

Molecular Formula
C6H13F2N
SMILES
CCC(C)[C@H](C(F)F)N
InChI
InChI=1S/C6H13F2N/c1-3-4(2)5(9)6(7)8/h4-6H,3,9H2,1-2H3/t4?,5-/m1/s1
InChIKey
SMMDATLSWQLYEA-BRJRFNKRSA-N
Compound name
(2R)-1,1-difluoro-3-methylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.10161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.108886 129.8
[M+Na]+ 160.090828 135.5
[M-H]- 136.094334 126.9
[M+NH4]+ 155.135433 150.9
[M+K]+ 176.064768 135.4
[M+H-H2O]+ 120.098870 123.3
[M+HCOO]- 182.099811 148.8
[M+CH3COO]- 196.115461 179.4
[M+Na-2H]- 158.076276 130.9
[M]+ 137.10106142 124.7
[M]- 137.10215858 124.7
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.