CID 21481538

1257106-74-3

Structural Information

Molecular Formula
C6H9N3
SMILES
CC(C1=NC=NC=C1)N
InChI
InChI=1S/C6H9N3/c1-5(7)6-2-3-8-4-9-6/h2-5H,7H2,1H3
InChIKey
OCZUDXKITNRVEH-UHFFFAOYSA-N
Compound name
1-pyrimidin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.6
[M+Na]+ 146.06887 135.7
[M+NH4]+ 141.11347 131.8
[M+K]+ 162.04281 130.3
[M-H]- 122.07237 125.2
[M+Na-2H]- 144.05432 131.1
[M]+ 123.07910 125.6
[M]- 123.08020 125.6
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