CID 135499449

Nsc660052

Structural Information

Molecular Formula
C8H10N2O2S
SMILES
C1CC(=C(C(=O)C1)/C=N/C(=S)N)O
InChI
InChI=1S/C8H10N2O2S/c9-8(13)10-4-5-6(11)2-1-3-7(5)12/h4,11H,1-3H2,(H2,9,13)/b10-4+
InChIKey
AEKYLUIYQHHUHL-ONNFQVAWSA-N
Compound name
(E)-(2-hydroxy-6-oxocyclohexen-1-yl)methylidenethiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0463 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05358 140.9
[M+Na]+ 221.03552 147.3
[M-H]- 197.03902 143.9
[M+NH4]+ 216.08012 159.8
[M+K]+ 237.00946 144.1
[M+H-H2O]+ 181.04356 134.9
[M+HCOO]- 243.04450 158.7
[M+CH3COO]- 257.06015 185.3
[M+Na-2H]- 219.02097 141.7
[M]+ 198.04575 137.9
[M]- 198.04685 137.9
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.