CID 465084

Stk793285

Structural Information

Molecular Formula
C10H12N4S
SMILES
CCSC1=NN=NN1C2=CC=C(C=C2)C
InChI
InChI=1S/C10H12N4S/c1-3-15-10-11-12-13-14(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
NJEQSVCUPZZLKD-UHFFFAOYSA-N
Compound name
5-ethylsulfanyl-1-(4-methylphenyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08554 146.8
[M+Na]+ 243.06748 158.1
[M-H]- 219.07098 149.3
[M+NH4]+ 238.11208 162.9
[M+K]+ 259.04142 153.9
[M+H-H2O]+ 203.07552 138.3
[M+HCOO]- 265.07646 163.2
[M+CH3COO]- 279.09211 159.5
[M+Na-2H]- 241.05293 149.2
[M]+ 220.07771 150.5
[M]- 220.07881 150.5
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.