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]+ 194.038266 136.1
[M+Na]+ 216.020208 149.0
[M-H]- 192.023714 142.7
[M+NH4]+ 211.064813 157.9
[M+K]+ 231.994148 148.4
[M+H-H2O]+ 176.028250 130.6
[M+HCOO]- 238.029191 155.9
[M+CH3COO]- 252.044841 151.3
[M+Na-2H]- 214.005656 138.0
[M]+ 193.03044142 141.4
[M]- 193.03153858 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.