CID 20407055

99357-24-1

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=CN=C(N=C1)CCN
InChI
InChI=1S/C6H9N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2-3,7H2
InChIKey
DKJOQBMLNGUEFQ-UHFFFAOYSA-N
Compound name
2-pyrimidin-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
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 123.5
[M+Na]+ 146.06887 131.5
[M-H]- 122.07237 124.0
[M+NH4]+ 141.11347 142.6
[M+K]+ 162.04281 129.6
[M+H-H2O]+ 106.07691 116.3
[M+HCOO]- 168.07785 146.9
[M+CH3COO]- 182.09350 171.7
[M+Na-2H]- 144.05432 132.9
[M]+ 123.07910 121.6
[M]- 123.08020 121.6
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