CID 2442290

143540-96-9

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC1=CC=C(C=C1)OCC2=NC(=S)NN2
InChI
InChI=1S/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-11-10(15)13-12-9/h2-5H,6H2,1H3,(H2,11,12,13,15)
InChIKey
FGHLGSXTFQNVMW-UHFFFAOYSA-N
Compound name
5-[(4-methylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.069566 146.5
[M+Na]+ 244.051508 156.8
[M-H]- 220.055014 147.5
[M+NH4]+ 239.096113 162.2
[M+K]+ 260.025448 150.9
[M+H-H2O]+ 204.059550 139.2
[M+HCOO]- 266.060491 161.6
[M+CH3COO]- 280.076141 158.3
[M+Na-2H]- 242.036956 148.2
[M]+ 221.06174142 146.7
[M]- 221.06283858 146.7
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.