CID 43552092

1-(4,6-dimethoxypyrimidin-5-yl)-n-methylmethanamine

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CNCC1=C(N=CN=C1OC)OC
InChI
InChI=1S/C8H13N3O2/c1-9-4-6-7(12-2)10-5-11-8(6)13-3/h5,9H,4H2,1-3H3
InChIKey
GKIWZJVYRCZDHO-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 138.4
[M+Na]+ 206.089988 147.2
[M-H]- 182.093494 139.8
[M+NH4]+ 201.134593 155.8
[M+K]+ 222.063928 146.2
[M+H-H2O]+ 166.098030 130.8
[M+HCOO]- 228.098971 162.2
[M+CH3COO]- 242.114621 184.9
[M+Na-2H]- 204.075436 146.1
[M]+ 183.10022142 141.9
[M]- 183.10131858 141.9
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

No patent data available for this compound.