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]+ 166.10381 134.4
[M+Na]+ 188.08575 139.8
[M-H]- 164.08925 131.9
[M+NH4]+ 183.13035 154.5
[M+K]+ 204.05969 138.5
[M+H-H2O]+ 148.09379 127.2
[M+HCOO]- 210.09473 149.5
[M+CH3COO]- 224.11038 174.3
[M+Na-2H]- 186.07120 138.8
[M]+ 165.09598 126.6
[M]- 165.09708 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.