CID 3062561

98426-02-9

Structural Information

Molecular Formula
C8H13NOS2
SMILES
CCCC1(COC(=S)NC1=S)C
InChI
InChI=1S/C8H13NOS2/c1-3-4-8(2)5-10-7(12)9-6(8)11/h3-5H2,1-2H3,(H,9,11,12)
InChIKey
QUYAITRGIGSQFZ-UHFFFAOYSA-N
Compound name
5-methyl-5-propyl-1,3-oxazinane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04385 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05113 138.1
[M+Na]+ 226.03307 145.5
[M-H]- 202.03657 139.0
[M+NH4]+ 221.07767 156.7
[M+K]+ 242.00701 141.8
[M+H-H2O]+ 186.04111 133.5
[M+HCOO]- 248.04205 144.7
[M+CH3COO]- 262.05770 180.3
[M+Na-2H]- 224.01852 139.1
[M]+ 203.04330 136.6
[M]- 203.04440 136.6
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.