CID 155943803

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

Structural Information

Molecular Formula
C9H19F2NO
SMILES
CC(C)(C)C(C(C(C)(C)N)(F)F)O
InChI
InChI=1S/C9H19F2NO/c1-7(2,3)6(13)9(10,11)8(4,5)12/h6,13H,12H2,1-5H3
InChIKey
CAGQBTKNIXKEHW-UHFFFAOYSA-N
Compound name
5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.15074 143.5
[M+Na]+ 218.13268 149.4
[M-H]- 194.13618 139.5
[M+NH4]+ 213.17728 162.0
[M+K]+ 234.10662 148.6
[M+H-H2O]+ 178.14072 138.5
[M+HCOO]- 240.14166 157.7
[M+CH3COO]- 254.15731 186.8
[M+Na-2H]- 216.11813 147.7
[M]+ 195.14291 138.7
[M]- 195.14401 138.7
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.