CID 135966545

2377034-72-3

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC=C1C2=NSC(=N2)N)O
InChI
InChI=1S/C8H7N3OS/c9-8-10-7(11-13-8)5-1-3-6(12)4-2-5/h1-4,12H,(H2,9,10,11)
InChIKey
SVUNJJRELFGEQY-UHFFFAOYSA-N
Compound name
4-(5-amino-1,2,4-thiadiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.03099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.0
[M+Na]+ 216.02021 147.4
[M-H]- 192.02371 140.6
[M+NH4]+ 211.06481 155.4
[M+K]+ 231.99415 143.1
[M+H-H2O]+ 176.02825 130.1
[M+HCOO]- 238.02919 155.7
[M+CH3COO]- 252.04484 150.3
[M+Na-2H]- 214.00566 140.1
[M]+ 193.03044 136.9
[M]- 193.03154 136.9
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

patents stripe