CID 215101

2-methylthio-3,4,6,6-tetramethyl-3,6-dihydropyrimidine hydriodide

Structural Information

Molecular Formula
C9H16N2S
SMILES
CC1=CC(N=C(N1C)SC)(C)C
InChI
InChI=1S/C9H16N2S/c1-7-6-9(2,3)10-8(12-5)11(7)4/h6H,1-5H3
InChIKey
UVXQPTDNXSOQAG-UHFFFAOYSA-N
Compound name
1,4,4,6-tetramethyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 136.4
[M+Na]+ 207.09264 146.8
[M-H]- 183.09614 138.3
[M+NH4]+ 202.13724 157.4
[M+K]+ 223.06658 144.4
[M+H-H2O]+ 167.10068 130.9
[M+HCOO]- 229.10162 151.7
[M+CH3COO]- 243.11727 183.2
[M+Na-2H]- 205.07809 139.7
[M]+ 184.10287 139.6
[M]- 184.10397 139.6
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.