CID 6108058

5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=COC(=C1)/C=C/C2=NN=C(S2)N
InChI
InChI=1S/C8H7N3OS/c9-8-11-10-7(13-8)4-3-6-2-1-5-12-6/h1-5H,(H2,9,11)/b4-3+
InChIKey
VQXCMIQLBKLRAB-ONEGZZNKSA-N
Compound name
5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.4
[M+Na]+ 216.02021 149.0
[M-H]- 192.02371 143.4
[M+NH4]+ 211.06481 157.0
[M+K]+ 231.99415 146.5
[M+H-H2O]+ 176.02825 130.8
[M+HCOO]- 238.02919 159.3
[M+CH3COO]- 252.04484 152.1
[M+Na-2H]- 214.00566 140.4
[M]+ 193.03044 140.8
[M]- 193.03154 140.8
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.