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 136.8
[M+Na]+ 202.10139 143.2
[M-H]- 178.10489 135.7
[M+NH4]+ 197.14599 159.5
[M+K]+ 218.07533 141.0
[M+H-H2O]+ 162.10943 131.4
[M+HCOO]- 224.11037 154.3
[M+CH3COO]- 238.12602 178.9
[M+Na-2H]- 200.08684 141.7
[M]+ 179.11162 128.6
[M]- 179.11272 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.