CID 579948

2,4-dimethoxy-5-methylpyrimidine

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=CN=C(N=C1OC)OC
InChI
InChI=1S/C7H10N2O2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3
InChIKey
QOKFHFUSIPXAJO-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

154.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.4
[M+Na]+ 177.06345 139.5
[M-H]- 153.06695 131.0
[M+NH4]+ 172.10805 148.4
[M+K]+ 193.03739 138.9
[M+H-H2O]+ 137.07149 122.5
[M+HCOO]- 199.07243 152.5
[M+CH3COO]- 213.08808 177.0
[M+Na-2H]- 175.04890 137.3
[M]+ 154.07368 133.3
[M]- 154.07478 133.3
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