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]+ 182.135096 139.9
[M+Na]+ 204.117038 145.5
[M-H]- 180.120544 135.8
[M+NH4]+ 199.161643 158.8
[M+K]+ 220.090978 144.9
[M+H-H2O]+ 164.125080 134.4
[M+HCOO]- 226.126021 155.0
[M+CH3COO]- 240.141671 184.7
[M+Na-2H]- 202.102486 142.4
[M]+ 181.12727142 134.7
[M]- 181.12836858 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.