CID 55298893

2-methoxy-n-methylpyrimidin-5-amine

Structural Information

Molecular Formula
C6H9N3O
SMILES
CNC1=CN=C(N=C1)OC
InChI
InChI=1S/C6H9N3O/c1-7-5-3-8-6(10-2)9-4-5/h3-4,7H,1-2H3
InChIKey
QZIIUKMRWSOWGI-UHFFFAOYSA-N
Compound name
2-methoxy-N-methylpyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

139.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.3
[M+Na]+ 162.063768 135.1
[M-H]- 138.067274 127.7
[M+NH4]+ 157.108373 145.3
[M+K]+ 178.037708 134.1
[M+H-H2O]+ 122.071810 119.1
[M+HCOO]- 184.072751 150.5
[M+CH3COO]- 198.088401 175.6
[M+Na-2H]- 160.049216 135.9
[M]+ 139.07400142 127.2
[M]- 139.07509858 127.2
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