CID 713737

94201-88-4

Structural Information

Molecular Formula
C8H8N4OS
SMILES
CSC1=NN=NN1C2=CC(=CC=C2)O
InChI
InChI=1S/C8H8N4OS/c1-14-8-9-10-11-12(8)6-3-2-4-7(13)5-6/h2-5,13H,1H3
InChIKey
CACHDMAEKVFSIA-UHFFFAOYSA-N
Compound name
3-(5-methylsulfanyltetrazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

208.04189 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.049166 141.9
[M+Na]+ 231.031108 153.4
[M-H]- 207.034614 143.3
[M+NH4]+ 226.075713 157.6
[M+K]+ 247.005048 149.2
[M+H-H2O]+ 191.039150 134.0
[M+HCOO]- 253.040091 157.7
[M+CH3COO]- 267.055741 154.5
[M+Na-2H]- 229.016556 144.9
[M]+ 208.04134142 144.4
[M]- 208.04243858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.