CID 18914288

1965309-74-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 124.1
[M+Na]+ 146.068868 131.8
[M-H]- 122.072374 124.7
[M+NH4]+ 141.113473 143.1
[M+K]+ 162.042808 130.4
[M+H-H2O]+ 106.076910 117.0
[M+HCOO]- 168.077851 146.5
[M+CH3COO]- 182.093501 172.6
[M+Na-2H]- 144.054316 132.2
[M]+ 123.07910142 121.6
[M]- 123.08019858 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

No literature data available for this compound.

Patent stripe

patents stripe