CID 98774599

5-(4-fluoropiperidin-4-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H12FN3
SMILES
C1CNCCC1(C2=CN=CN=C2)F
InChI
InChI=1S/C9H12FN3/c10-9(1-3-11-4-2-9)8-5-12-7-13-6-8/h5-7,11H,1-4H2
InChIKey
PRMJQAWUUQVORU-UHFFFAOYSA-N
Compound name
5-(4-fluoropiperidin-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10153 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.108806 139.5
[M+Na]+ 204.090748 145.8
[M-H]- 180.094254 138.7
[M+NH4]+ 199.135353 155.9
[M+K]+ 220.064688 142.2
[M+H-H2O]+ 164.098790 129.8
[M+HCOO]- 226.099731 154.7
[M+CH3COO]- 240.115381 150.1
[M+Na-2H]- 202.076196 147.1
[M]+ 181.10098142 131.4
[M]- 181.10207858 131.4
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

No patent data available for this compound.