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 139.9
[M+Na]+ 204.11704 145.5
[M-H]- 180.12054 135.8
[M+NH4]+ 199.16164 158.8
[M+K]+ 220.09098 144.9
[M+H-H2O]+ 164.12508 134.4
[M+HCOO]- 226.12602 155.0
[M+CH3COO]- 240.14167 184.7
[M+Na-2H]- 202.10249 142.4
[M]+ 181.12727 134.7
[M]- 181.12837 134.7
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.