CID 206753

28666-87-7

Structural Information

Molecular Formula
C9H11N2S
SMILES
CC1=CC(=[N+]2C(=CSC2=N1)C)C
InChI
InChI=1S/C9H11N2S/c1-6-4-7(2)11-8(3)5-12-9(11)10-6/h4-5H,1-3H3/q+1
InChIKey
JCEDUICLDRTIOK-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0643 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07158 133.0
[M+Na]+ 202.05352 146.2
[M-H]- 178.05702 137.1
[M+NH4]+ 197.09812 154.9
[M+K]+ 218.02746 137.3
[M+H-H2O]+ 162.06156 130.0
[M+HCOO]- 224.06250 151.9
[M+CH3COO]- 238.07815 174.7
[M+Na-2H]- 200.03897 139.8
[M]+ 179.06375 137.1
[M]- 179.06485 137.1
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.