CID 136256641

2-cyclopropyl-5-iodo-6-(methoxymethyl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C9H11IN2O2
SMILES
COCC1=C(C(=O)NC(=N1)C2CC2)I
InChI
InChI=1S/C9H11IN2O2/c1-14-4-6-7(10)9(13)12-8(11-6)5-2-3-5/h5H,2-4H2,1H3,(H,11,12,13)
InChIKey
FXQUVAUSBICYLM-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.98654 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99382 152.8
[M+Na]+ 328.97576 157.3
[M-H]- 304.97926 150.1
[M+NH4]+ 324.02036 160.2
[M+K]+ 344.94970 158.3
[M+H-H2O]+ 288.98380 141.8
[M+HCOO]- 350.98474 169.2
[M+CH3COO]- 365.00039 193.5
[M+Na-2H]- 326.96121 146.5
[M]+ 305.98599 153.5
[M]- 305.98709 153.5
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.