CID 72212450

5-ethynyl-2-(pyrrolidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C10H11N3
SMILES
C#CC1=CN=C(N=C1)N2CCCC2
InChI
InChI=1S/C10H11N3/c1-2-9-7-11-10(12-8-9)13-5-3-4-6-13/h1,7-8H,3-6H2
InChIKey
XCFDBUPCUVIIEY-UHFFFAOYSA-N
Compound name
5-ethynyl-2-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09529 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 134.7
[M+Na]+ 196.08451 144.1
[M-H]- 172.08801 134.2
[M+NH4]+ 191.12911 149.9
[M+K]+ 212.05845 139.2
[M+H-H2O]+ 156.09255 119.1
[M+HCOO]- 218.09349 148.5
[M+CH3COO]- 232.10914 145.1
[M+Na-2H]- 194.06996 138.4
[M]+ 173.09474 126.1
[M]- 173.09584 126.1
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.