CID 118832922

30419-03-5

Structural Information

Molecular Formula
C8H11N3OS
SMILES
CCN(C(=S)N)/N=C/C1=CC=CO1
InChI
InChI=1S/C8H11N3OS/c1-2-11(8(9)13)10-6-7-4-3-5-12-7/h3-6H,2H2,1H3,(H2,9,13)/b10-6+
InChIKey
KCYVBZPCGXDMME-UXBLZVDNSA-N
Compound name
1-ethyl-1-[(E)-furan-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.069566 144.7
[M+Na]+ 220.051508 151.2
[M-H]- 196.055014 151.4
[M+NH4]+ 215.096113 165.0
[M+K]+ 236.025448 151.0
[M+H-H2O]+ 180.059550 137.5
[M+HCOO]- 242.060491 167.8
[M+CH3COO]- 256.076141 192.0
[M+Na-2H]- 218.036956 147.3
[M]+ 197.06174142 146.7
[M]- 197.06283858 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.