CID 130907297

2-cyclopropyl-5-iodo-4-methylpyrimidine

Structural Information

Molecular Formula
C8H9IN2
SMILES
CC1=NC(=NC=C1I)C2CC2
InChI
InChI=1S/C8H9IN2/c1-5-7(9)4-10-8(11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
FRMHDGDJRLRBPA-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-iodo-4-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.98105 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.988326 139.6
[M+Na]+ 282.970268 144.0
[M-H]- 258.973774 138.0
[M+NH4]+ 278.014873 149.3
[M+K]+ 298.944208 146.2
[M+H-H2O]+ 242.978310 128.5
[M+HCOO]- 304.979251 157.4
[M+CH3COO]- 318.994901 189.1
[M+Na-2H]- 280.955716 135.3
[M]+ 259.98050142 139.4
[M]- 259.98159858 139.4
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.