CID 50743366

4-(6-chloropyrimidin-4-yl)thiomorpholine

Structural Information

Molecular Formula
C8H10ClN3S
SMILES
C1CSCCN1C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H10ClN3S/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
NDRVAVOINNYSNQ-UHFFFAOYSA-N
Compound name
4-(6-chloropyrimidin-4-yl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03568 141.5
[M+Na]+ 238.01762 149.7
[M-H]- 214.02112 143.6
[M+NH4]+ 233.06222 157.2
[M+K]+ 253.99156 145.1
[M+H-H2O]+ 198.02566 133.5
[M+HCOO]- 260.02660 149.9
[M+CH3COO]- 274.04225 152.8
[M+Na-2H]- 236.00307 145.2
[M]+ 215.02785 140.0
[M]- 215.02895 140.0
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.