CID 4635105

2-methyl-5-methylidenepyrimidin-4-imine

Structural Information

Molecular Formula
C6H7N3
SMILES
CC1=NC(=N)C(=C)C=N1
InChI
InChI=1S/C6H7N3/c1-4-3-8-5(2)9-6(4)7/h3,7H,1H2,2H3
InChIKey
AXFPKNUSOMMYRV-UHFFFAOYSA-N
Compound name
2-methyl-5-methylidenepyrimidin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

121.063995 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 122.6
[M+Na]+ 144.05321 132.0
[M-H]- 120.05672 124.1
[M+NH4]+ 139.09782 142.5
[M+K]+ 160.02715 129.6
[M+H-H2O]+ 104.06126 116.0
[M+HCOO]- 166.06220 145.5
[M+CH3COO]- 180.07785 173.2
[M+Na-2H]- 142.03866 130.5
[M]+ 121.06345 119.7
[M]- 121.06454 119.7
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