CID 53567848

[2-(pyrrolidin-1-yl)pyrimidin-4-yl]methanamine

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CCN(C1)C2=NC=CC(=N2)CN
InChI
InChI=1S/C9H14N4/c10-7-8-3-4-11-9(12-8)13-5-1-2-6-13/h3-4H,1-2,5-7,10H2
InChIKey
DMZOQRUBOAQWEH-UHFFFAOYSA-N
Compound name
(2-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12184 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 138.9
[M+Na]+ 201.111058 145.6
[M-H]- 177.114564 140.7
[M+NH4]+ 196.155663 155.9
[M+K]+ 217.084998 142.7
[M+H-H2O]+ 161.119100 129.6
[M+HCOO]- 223.120041 159.3
[M+CH3COO]- 237.135691 150.7
[M+Na-2H]- 199.096506 143.7
[M]+ 178.12129142 134.3
[M]- 178.12238858 134.3
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.