CID 13640878

108444-56-0

Structural Information

Molecular Formula
C6H7N3
SMILES
C=CC1=CN=C(N=C1)N
InChI
InChI=1S/C6H7N3/c1-2-5-3-8-6(7)9-4-5/h2-4H,1H2,(H2,7,8,9)
InChIKey
LUYOMLHOURXTCL-UHFFFAOYSA-N
Compound name
5-ethenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

121.063995 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 122.6
[M+Na]+ 144.053213 131.8
[M-H]- 120.056719 123.5
[M+NH4]+ 139.097818 142.0
[M+K]+ 160.027153 129.3
[M+H-H2O]+ 104.061255 115.7
[M+HCOO]- 166.062196 146.1
[M+CH3COO]- 180.077846 171.9
[M+Na-2H]- 142.038661 131.1
[M]+ 121.06344642 120.4
[M]- 121.06454358 120.4
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