CID 3079840

Butyl 2-methyl-3-oxazolidinecarbodithioate

Structural Information

Molecular Formula
C9H17NOS2
SMILES
CCCCSC(=S)N1CCOC1C
InChI
InChI=1S/C9H17NOS2/c1-3-4-7-13-9(12)10-5-6-11-8(10)2/h8H,3-7H2,1-2H3
InChIKey
BYEOIPZDNDAEJV-UHFFFAOYSA-N
Compound name
butyl 2-methyl-1,3-oxazolidine-3-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.07515 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08243 148.1
[M+Na]+ 242.06437 155.2
[M-H]- 218.06787 150.6
[M+NH4]+ 237.10897 166.9
[M+K]+ 258.03831 153.2
[M+H-H2O]+ 202.07241 142.6
[M+HCOO]- 264.07335 157.1
[M+CH3COO]- 278.08900 185.2
[M+Na-2H]- 240.04982 145.3
[M]+ 219.07460 150.4
[M]- 219.07570 150.4
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.