CID 73823

3-allylrhodanine

Structural Information

Molecular Formula
C6H7NOS2
SMILES
C=CCN1C(=O)CSC1=S
InChI
InChI=1S/C6H7NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2H,1,3-4H2
InChIKey
GYGUTBCTEJBRAN-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

749
Patents

172.9969 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.00418 133.4
[M+Na]+ 195.98612 143.2
[M-H]- 171.98962 136.0
[M+NH4]+ 191.03072 155.2
[M+K]+ 211.96006 139.2
[M+H-H2O]+ 155.99416 128.6
[M+HCOO]- 217.99510 145.2
[M+CH3COO]- 232.01075 176.3
[M+Na-2H]- 193.97157 131.5
[M]+ 172.99635 134.0
[M]- 172.99745 134.0
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

patents stripe