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]+ 199.053576 140.9
[M+Na]+ 221.035518 147.3
[M-H]- 197.039024 143.9
[M+NH4]+ 216.080123 159.8
[M+K]+ 237.009458 144.1
[M+H-H2O]+ 181.043560 134.9
[M+HCOO]- 243.044501 158.7
[M+CH3COO]- 257.060151 185.3
[M+Na-2H]- 219.020966 141.7
[M]+ 198.04575142 137.9
[M]- 198.04684858 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.