CID 18676268

856973-38-1

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=CN=CN=C1CCN
InChI
InChI=1S/C6H9N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1,3,7H2
InChIKey
SQMGXCMBLRNMIB-UHFFFAOYSA-N
Compound name
2-pyrimidin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

123.07965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.3
[M+Na]+ 146.06887 135.8
[M+NH4]+ 141.11347 131.7
[M+K]+ 162.04281 129.5
[M-H]- 122.07237 125.1
[M+Na-2H]- 144.05432 131.2
[M]+ 123.07910 125.4
[M]- 123.08020 125.4
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

patents stripe