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]+ 194.038266 137.0
[M+Na]+ 216.020208 147.4
[M-H]- 192.023714 140.6
[M+NH4]+ 211.064813 155.4
[M+K]+ 231.994148 143.1
[M+H-H2O]+ 176.028250 130.1
[M+HCOO]- 238.029191 155.7
[M+CH3COO]- 252.044841 150.3
[M+Na-2H]- 214.005656 140.1
[M]+ 193.03044142 136.9
[M]- 193.03153858 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