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]+ 198.06957 144.7
[M+Na]+ 220.05151 151.2
[M-H]- 196.05501 151.4
[M+NH4]+ 215.09611 165.0
[M+K]+ 236.02545 151.0
[M+H-H2O]+ 180.05955 137.5
[M+HCOO]- 242.06049 167.8
[M+CH3COO]- 256.07614 192.0
[M+Na-2H]- 218.03696 147.3
[M]+ 197.06174 146.7
[M]- 197.06284 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.