CID 165788560

3-amino-2-(4,4-difluorocyclohexyl)propan-1-ol

Structural Information

Molecular Formula
C9H17F2NO
SMILES
C1CC(CCC1C(CN)CO)(F)F
InChI
InChI=1S/C9H17F2NO/c10-9(11)3-1-7(2-4-9)8(5-12)6-13/h7-8,13H,1-6,12H2
InChIKey
VFACSSZBNOMVHK-UHFFFAOYSA-N
Compound name
3-amino-2-(4,4-difluorocyclohexyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12782 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13510 142.9
[M+Na]+ 216.11704 147.6
[M-H]- 192.12054 141.2
[M+NH4]+ 211.16164 162.9
[M+K]+ 232.09098 145.4
[M+H-H2O]+ 176.12508 136.4
[M+HCOO]- 238.12602 158.9
[M+CH3COO]- 252.14167 183.0
[M+Na-2H]- 214.10249 144.7
[M]+ 193.12727 133.9
[M]- 193.12837 133.9
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.