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]+ 179.12912 138.9
[M+Na]+ 201.11106 145.6
[M-H]- 177.11456 140.7
[M+NH4]+ 196.15566 155.9
[M+K]+ 217.08500 142.7
[M+H-H2O]+ 161.11910 129.6
[M+HCOO]- 223.12004 159.3
[M+CH3COO]- 237.13569 150.7
[M+Na-2H]- 199.09651 143.7
[M]+ 178.12129 134.3
[M]- 178.12239 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.