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

30
Patents

139.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.3
[M+Na]+ 162.06377 135.1
[M-H]- 138.06727 127.7
[M+NH4]+ 157.10837 145.3
[M+K]+ 178.03771 134.1
[M+H-H2O]+ 122.07181 119.1
[M+HCOO]- 184.07275 150.5
[M+CH3COO]- 198.08840 175.6
[M+Na-2H]- 160.04922 135.9
[M]+ 139.07400 127.2
[M]- 139.07510 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