CID 45789621

2-iodo-5-methylpyrimidine

Structural Information

Molecular Formula
C5H5IN2
SMILES
CC1=CN=C(N=C1)I
InChI
InChI=1S/C5H5IN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey
PKPRQEHDJNWUHR-UHFFFAOYSA-N
Compound name
2-iodo-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

347
Patents

219.94975 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.957026 123.4
[M+Na]+ 242.938968 126.2
[M-H]- 218.942474 117.9
[M+NH4]+ 237.983573 138.8
[M+K]+ 258.912908 130.6
[M+H-H2O]+ 202.947010 113.4
[M+HCOO]- 264.947951 141.5
[M+CH3COO]- 278.963601 177.9
[M+Na-2H]- 240.924416 121.0
[M]+ 219.94920142 120.9
[M]- 219.95029858 120.9
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

patents stripe