CID 55296927

(5,5-difluoro-1-methylpiperidin-2-yl)methanol

Structural Information

Molecular Formula
C7H13F2NO
SMILES
CN1CC(CCC1CO)(F)F
InChI
InChI=1S/C7H13F2NO/c1-10-5-7(8,9)3-2-6(10)4-11/h6,11H,2-5H2,1H3
InChIKey
UCUPOSMQSAWCLC-UHFFFAOYSA-N
Compound name
(5,5-difluoro-1-methylpiperidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

165.09653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.103806 132.7
[M+Na]+ 188.085748 140.3
[M-H]- 164.089254 130.9
[M+NH4]+ 183.130353 153.6
[M+K]+ 204.059688 138.6
[M+H-H2O]+ 148.093790 126.1
[M+HCOO]- 210.094731 148.9
[M+CH3COO]- 224.110381 175.7
[M+Na-2H]- 186.071196 137.1
[M]+ 165.09598142 126.4
[M]- 165.09707858 126.4
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

patents stripe