CID 639849

5-ethenylpyrimidine

Structural Information

Molecular Formula
C6H6N2
SMILES
C=CC1=CN=CN=C1
InChI
InChI=1S/C6H6N2/c1-2-6-3-7-5-8-4-6/h2-5H,1H2
InChIKey
HXXVIKZQIFTJOQ-UHFFFAOYSA-N
Compound name
5-ethenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1833
Patents

106.0531 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06038 117.6
[M+Na]+ 129.04232 126.7
[M-H]- 105.04582 118.7
[M+NH4]+ 124.08692 138.0
[M+K]+ 145.01626 124.9
[M+H-H2O]+ 89.050360 110.9
[M+HCOO]- 151.05130 140.8
[M+CH3COO]- 165.06695 166.8
[M+Na-2H]- 127.02777 127.8
[M]+ 106.05255 116.8
[M]- 106.05365 116.8
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