CID 2492391

4-ethoxy-3-methoxybenzene-1-carbothioamide

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCOC1=C(C=C(C=C1)C(=S)N)OC
InChI
InChI=1S/C10H13NO2S/c1-3-13-8-5-4-7(10(11)14)6-9(8)12-2/h4-6H,3H2,1-2H3,(H2,11,14)
InChIKey
XNFZUJTUOOAARW-UHFFFAOYSA-N
Compound name
4-ethoxy-3-methoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 144.6
[M+Na]+ 234.055918 152.4
[M-H]- 210.059424 148.1
[M+NH4]+ 229.100523 163.6
[M+K]+ 250.029858 149.6
[M+H-H2O]+ 194.063960 138.4
[M+HCOO]- 256.064901 163.3
[M+CH3COO]- 270.080551 188.6
[M+Na-2H]- 232.041366 145.8
[M]+ 211.06615142 147.5
[M]- 211.06724858 147.5
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.