CID 80885847

6-(methylsulfanyl)-n-propylpyrimidin-4-amine

Structural Information

Molecular Formula
C8H13N3S
SMILES
CCCNC1=CC(=NC=N1)SC
InChI
InChI=1S/C8H13N3S/c1-3-4-9-7-5-8(12-2)11-6-10-7/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
JJUXTOUUESRZPG-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-N-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08302 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 137.4
[M+Na]+ 206.07224 145.8
[M-H]- 182.07574 138.6
[M+NH4]+ 201.11684 155.3
[M+K]+ 222.04618 142.6
[M+H-H2O]+ 166.08028 130.1
[M+HCOO]- 228.08122 155.4
[M+CH3COO]- 242.09687 183.4
[M+Na-2H]- 204.05769 142.4
[M]+ 183.08247 139.7
[M]- 183.08357 139.7
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.