CID 3055601

72647-25-7

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1CSC2=NN=C(N21)C3=CC=CO3
InChI
InChI=1S/C8H7N3OS/c1-2-6(12-4-1)7-9-10-8-11(7)3-5-13-8/h1-2,4H,3,5H2
InChIKey
JRPQWCZGPKUXSO-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 136.1
[M+Na]+ 216.02021 149.0
[M-H]- 192.02371 142.7
[M+NH4]+ 211.06481 157.9
[M+K]+ 231.99415 148.4
[M+H-H2O]+ 176.02825 130.6
[M+HCOO]- 238.02919 155.9
[M+CH3COO]- 252.04484 151.3
[M+Na-2H]- 214.00566 138.0
[M]+ 193.03044 141.4
[M]- 193.03154 141.4
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.