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]+ 166.103806 132.4
[M+Na]+ 188.085748 139.2
[M-H]- 164.089254 131.5
[M+NH4]+ 183.130353 155.7
[M+K]+ 204.059688 137.3
[M+H-H2O]+ 148.093790 127.1
[M+HCOO]- 210.094731 150.2
[M+CH3COO]- 224.110381 175.9
[M+Na-2H]- 186.071196 137.8
[M]+ 165.09598142 123.8
[M]- 165.09707858 123.8
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.