CID 529071

132344-97-9

Structural Information

Molecular Formula
C11H21NS2
SMILES
CCCCC1SC(N2CCCC2S1)C
InChI
InChI=1S/C11H21NS2/c1-3-4-7-11-13-9(2)12-8-5-6-10(12)14-11/h9-11H,3-8H2,1-2H3
InChIKey
NCUIAOPINFJUBZ-UHFFFAOYSA-N
Compound name
2-butyl-4-methyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

231.11154 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11882 150.4
[M+Na]+ 254.10076 159.5
[M+NH4]+ 249.14536 160.7
[M+K]+ 270.07470 150.3
[M-H]- 230.10426 152.8
[M+Na-2H]- 252.08621 152.1
[M]+ 231.11099 153.2
[M]- 231.11209 153.2
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.