CID 3079841

Brn 4246376

Structural Information

Molecular Formula
C8H13NOS2
SMILES
CC1N(CCO1)C(=S)SCC=C
InChI
InChI=1S/C8H13NOS2/c1-3-6-12-8(11)9-4-5-10-7(9)2/h3,7H,1,4-6H2,2H3
InChIKey
JSEAHSYKGLAICN-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-methyl-1,3-oxazolidine-3-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04385 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05113 143.3
[M+Na]+ 226.03307 151.1
[M-H]- 202.03657 146.0
[M+NH4]+ 221.07767 162.7
[M+K]+ 242.00701 148.8
[M+H-H2O]+ 186.04111 138.1
[M+HCOO]- 248.04205 152.8
[M+CH3COO]- 262.05770 181.4
[M+Na-2H]- 224.01852 140.9
[M]+ 203.04330 144.5
[M]- 203.04440 144.5
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.