CID 203730

5,7-dimethylthiazolidino(3,2-a)pyrimidine bromide

Structural Information

Molecular Formula
C8H11N2S
SMILES
CC1=CC(=[N+]2CCSC2=N1)C
InChI
InChI=1S/C8H11N2S/c1-6-5-7(2)10-3-4-11-8(10)9-6/h5H,3-4H2,1-2H3/q+1
InChIKey
UDANAWSADUQJQS-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0643 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07158 131.1
[M+Na]+ 190.05352 141.8
[M-H]- 166.05702 134.1
[M+NH4]+ 185.09812 152.9
[M+K]+ 206.02746 133.7
[M+H-H2O]+ 150.06156 128.0
[M+HCOO]- 212.06250 147.5
[M+CH3COO]- 226.07815 171.1
[M+Na-2H]- 188.03897 137.1
[M]+ 167.06375 131.6
[M]- 167.06485 131.6
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.