CID 155943801

5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol hydrochloride

Structural Information

Molecular Formula
C8H17F2NO
SMILES
CC(C)C(C(C(C)(C)N)(F)F)O
InChI
InChI=1S/C8H17F2NO/c1-5(2)6(12)8(9,10)7(3,4)11/h5-6,12H,11H2,1-4H3
InChIKey
JCTJMGHXNBJVBT-UHFFFAOYSA-N
Compound name
5-amino-4,4-difluoro-2,5-dimethylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.12782 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.13510 142.7
[M+Na]+ 204.11704 148.0
[M+NH4]+ 199.16164 147.6
[M+K]+ 220.09098 146.1
[M-H]- 180.12054 137.5
[M+Na-2H]- 202.10249 142.9
[M]+ 181.12727 141.5
[M]- 181.12837 141.5
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.