CID 115015347

[1-(aminomethyl)-4,4-difluorocyclohexyl]methanol

Structural Information

Molecular Formula
C8H15F2NO
SMILES
C1CC(CCC1(CN)CO)(F)F
InChI
InChI=1S/C8H15F2NO/c9-8(10)3-1-7(5-11,6-12)2-4-8/h12H,1-6,11H2
InChIKey
XDRYLDOVNRZEFQ-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)-4,4-difluorocyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11217 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11945 138.2
[M+Na]+ 202.10139 145.5
[M+NH4]+ 197.14599 147.7
[M+K]+ 218.07533 137.1
[M-H]- 178.10489 136.9
[M+Na-2H]- 200.08684 143.9
[M]+ 179.11162 138.7
[M]- 179.11272 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.