CID 55297101

(3,3-difluoropiperidin-4-yl)methanol hydrochloride

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CNCC(C1CO)(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(6)3-10/h5,9-10H,1-4H2
InChIKey
RDYYKMKTYDTFNJ-UHFFFAOYSA-N
Compound name
(3,3-difluoropiperidin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

151.08087 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 129.8
[M+Na]+ 174.070088 136.4
[M-H]- 150.073594 126.4
[M+NH4]+ 169.114693 150.1
[M+K]+ 190.044028 134.0
[M+H-H2O]+ 134.078130 123.3
[M+HCOO]- 196.079071 144.7
[M+CH3COO]- 210.094721 168.9
[M+Na-2H]- 172.055536 134.8
[M]+ 151.08032142 120.8
[M]- 151.08141858 120.8
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