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]+ 194.038266 137.4
[M+Na]+ 216.020208 149.0
[M-H]- 192.023714 143.4
[M+NH4]+ 211.064813 157.0
[M+K]+ 231.994148 146.5
[M+H-H2O]+ 176.028250 130.8
[M+HCOO]- 238.029191 159.3
[M+CH3COO]- 252.044841 152.1
[M+Na-2H]- 214.005656 140.4
[M]+ 193.03044142 140.8
[M]- 193.03153858 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.