CID 519971

N-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H7N3
SMILES
CNC1=NC=NC=C1
InChI
InChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKey
VERCQLOBLOLFMW-UHFFFAOYSA-N
Compound name
N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

440
Patents

109.063995 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 118.5
[M+Na]+ 132.05321 126.9
[M-H]- 108.05672 119.7
[M+NH4]+ 127.09782 138.4
[M+K]+ 148.02715 125.7
[M+H-H2O]+ 92.061255 111.5
[M+HCOO]- 154.06220 142.9
[M+CH3COO]- 168.07785 169.4
[M+Na-2H]- 130.03866 129.5
[M]+ 109.06345 117.3
[M]- 109.06454 117.3
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