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]+ 138.10889 129.8
[M+Na]+ 160.09083 135.5
[M-H]- 136.09433 126.9
[M+NH4]+ 155.13543 150.9
[M+K]+ 176.06477 135.4
[M+H-H2O]+ 120.09887 123.3
[M+HCOO]- 182.09981 148.8
[M+CH3COO]- 196.11546 179.4
[M+Na-2H]- 158.07628 130.9
[M]+ 137.10106 124.7
[M]- 137.10216 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.