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]+ 185.110696 136.4
[M+Na]+ 207.092638 146.8
[M-H]- 183.096144 138.3
[M+NH4]+ 202.137243 157.4
[M+K]+ 223.066578 144.4
[M+H-H2O]+ 167.100680 130.9
[M+HCOO]- 229.101621 151.7
[M+CH3COO]- 243.117271 183.2
[M+Na-2H]- 205.078086 139.7
[M]+ 184.10287142 139.6
[M]- 184.10396858 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.