CID 69472207

N-ethylpyrimidin-5-amine

Structural Information

Molecular Formula
C6H9N3
SMILES
CCNC1=CN=CN=C1
InChI
InChI=1S/C6H9N3/c1-2-9-6-3-7-5-8-4-6/h3-5,9H,2H2,1H3
InChIKey
MGSZTYJMTSIONZ-UHFFFAOYSA-N
Compound name
N-ethylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

123.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.1
[M+Na]+ 146.06887 131.0
[M-H]- 122.07237 124.0
[M+NH4]+ 141.11347 142.4
[M+K]+ 162.04281 129.6
[M+H-H2O]+ 106.07691 115.8
[M+HCOO]- 168.07785 147.1
[M+CH3COO]- 182.09350 172.4
[M+Na-2H]- 144.05432 133.5
[M]+ 123.07910 122.2
[M]- 123.08020 122.2
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

patents stripe