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]+ 180.119446 136.8
[M+Na]+ 202.101388 143.2
[M-H]- 178.104894 135.7
[M+NH4]+ 197.145993 159.5
[M+K]+ 218.075328 141.0
[M+H-H2O]+ 162.109430 131.4
[M+HCOO]- 224.110371 154.3
[M+CH3COO]- 238.126021 178.9
[M+Na-2H]- 200.086836 141.7
[M]+ 179.11162142 128.6
[M]- 179.11271858 128.6
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.