CID 3767451

2-(pyrrolidin-3-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
C1CNCC1C2=NC=CC=N2
InChI
InChI=1S/C8H11N3/c1-3-10-8(11-4-1)7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2
InChIKey
LPULOUDNRALULV-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

149.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 131.2
[M+Na]+ 172.084508 137.8
[M-H]- 148.088014 131.9
[M+NH4]+ 167.129113 148.9
[M+K]+ 188.058448 134.9
[M+H-H2O]+ 132.092550 122.5
[M+HCOO]- 194.093491 149.9
[M+CH3COO]- 208.109141 143.1
[M+Na-2H]- 170.069956 137.2
[M]+ 149.09474142 125.7
[M]- 149.09583858 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

No literature data available for this compound.

Patent stripe

patents stripe