CID 167723798

3-(difluoromethyl)-3-methoxypiperidine hydrochloride

Structural Information

Molecular Formula
C7H13F2NO
SMILES
COC1(CCCNC1)C(F)F
InChI
InChI=1S/C7H13F2NO/c1-11-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3
InChIKey
XHPAQXXNAIZHDL-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-3-methoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09653 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 134.4
[M+Na]+ 188.085748 139.8
[M-H]- 164.089254 131.9
[M+NH4]+ 183.130353 154.5
[M+K]+ 204.059688 138.5
[M+H-H2O]+ 148.093790 127.2
[M+HCOO]- 210.094731 149.5
[M+CH3COO]- 224.110381 174.3
[M+Na-2H]- 186.071196 138.8
[M]+ 165.09598142 126.6
[M]- 165.09707858 126.6
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.