CID 2736660

4-iodo-6-methyl-2-methylthio-pyrimidine

Structural Information

Molecular Formula
C6H7IN2S
SMILES
CC1=CC(=NC(=N1)SC)I
InChI
InChI=1S/C6H7IN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKey
SXADYEHFGYLHDV-UHFFFAOYSA-N
Compound name
4-iodo-6-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.93747 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.94475 133.8
[M+Na]+ 288.92669 137.4
[M-H]- 264.93019 128.8
[M+NH4]+ 283.97129 148.5
[M+K]+ 304.90063 140.6
[M+H-H2O]+ 248.93473 124.0
[M+HCOO]- 310.93567 146.6
[M+CH3COO]- 324.95132 185.4
[M+Na-2H]- 286.91214 126.7
[M]+ 265.93692 134.0
[M]- 265.93802 134.0
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