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

351
Patents

219.94975 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.95703 123.4
[M+Na]+ 242.93897 126.2
[M-H]- 218.94247 117.9
[M+NH4]+ 237.98357 138.8
[M+K]+ 258.91291 130.6
[M+H-H2O]+ 202.94701 113.4
[M+HCOO]- 264.94795 141.5
[M+CH3COO]- 278.96360 177.9
[M+Na-2H]- 240.92442 121.0
[M]+ 219.94920 120.9
[M]- 219.95030 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