CID 84717017

(1-amino-4,4-difluorocyclohexyl)methanol

Structural Information

Molecular Formula
C7H13F2NO
SMILES
C1CC(CCC1(CO)N)(F)F
InChI
InChI=1S/C7H13F2NO/c8-7(9)3-1-6(10,5-11)2-4-7/h11H,1-5,10H2
InChIKey
ULBQZMFIELEPEL-UHFFFAOYSA-N
Compound name
(1-amino-4,4-difluorocyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10381 133.9
[M+Na]+ 188.08575 141.5
[M+NH4]+ 183.13035 143.5
[M+K]+ 204.05969 133.2
[M-H]- 164.08925 132.7
[M+Na-2H]- 186.07120 139.9
[M]+ 165.09598 134.5
[M]- 165.09708 134.5
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.