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]+ 166.10381 132.7
[M+Na]+ 188.08575 140.3
[M-H]- 164.08925 130.9
[M+NH4]+ 183.13035 153.6
[M+K]+ 204.05969 138.6
[M+H-H2O]+ 148.09379 126.1
[M+HCOO]- 210.09473 148.9
[M+CH3COO]- 224.11038 175.7
[M+Na-2H]- 186.07120 137.1
[M]+ 165.09598 126.4
[M]- 165.09708 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