CID 7568320

Goitrin

Structural Information

Molecular Formula
C5H7NOS
SMILES
C=C[C@H]1CNC(=S)O1
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1
InChIKey
UZQVYLOFLQICCT-BYPYZUCNSA-N
Compound name
(5S)-5-ethenyl-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

55
References

635
Patents

129.02484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.03212 124.3
[M+Na]+ 152.01406 132.9
[M-H]- 128.01756 126.1
[M+NH4]+ 147.05866 145.6
[M+K]+ 167.98800 131.1
[M+H-H2O]+ 112.02210 119.5
[M+HCOO]- 174.02304 139.7
[M+CH3COO]- 188.03869 165.2
[M+Na-2H]- 149.99951 126.3
[M]+ 129.02429 122.4
[M]- 129.02539 122.4
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