CID 18542479

2-(pyrrolidin-2-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CC(NC1)C2=NC=CC=N2
InChI
InChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2
InChIKey
ZSWGTTPYUUGGDI-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

149.09529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 131.2
[M+Na]+ 172.08451 137.8
[M-H]- 148.08801 131.9
[M+NH4]+ 167.12911 148.9
[M+K]+ 188.05845 134.9
[M+H-H2O]+ 132.09255 122.5
[M+HCOO]- 194.09349 149.9
[M+CH3COO]- 208.10914 143.1
[M+Na-2H]- 170.06996 137.2
[M]+ 149.09474 125.7
[M]- 149.09584 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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