CID 49768110

920490-06-8

Structural Information

Molecular Formula
C9H13N3S
SMILES
CN(C)C1=NC(=NC(=C1)C=C)SC
InChI
InChI=1S/C9H13N3S/c1-5-7-6-8(12(2)3)11-9(10-7)13-4/h5-6H,1H2,2-4H3
InChIKey
AAXJIMWLUUMSLD-UHFFFAOYSA-N
Compound name
6-ethenyl-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08302 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09030 140.9
[M+Na]+ 218.07224 150.1
[M-H]- 194.07574 143.8
[M+NH4]+ 213.11684 159.2
[M+K]+ 234.04618 147.5
[M+H-H2O]+ 178.08028 133.4
[M+HCOO]- 240.08122 159.2
[M+CH3COO]- 254.09687 190.2
[M+Na-2H]- 216.05769 144.0
[M]+ 195.08247 144.5
[M]- 195.08357 144.5
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.