CID 281064

Nsc133571

Structural Information

Molecular Formula
C10H17NS2
SMILES
CN1C2CCC1CC3(C2)SCCS3
InChI
InChI=1S/C10H17NS2/c1-11-8-2-3-9(11)7-10(6-8)12-4-5-13-10/h8-9H,2-7H2,1H3
InChIKey
VKSXHWATSCYZAH-UHFFFAOYSA-N
Compound name
8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.08025 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08753 146.2
[M+Na]+ 238.06947 154.2
[M-H]- 214.07297 149.2
[M+NH4]+ 233.11407 172.1
[M+K]+ 254.04341 151.4
[M+H-H2O]+ 198.07751 142.7
[M+HCOO]- 260.07845 153.3
[M+CH3COO]- 274.09410 158.1
[M+Na-2H]- 236.05492 145.9
[M]+ 215.07970 144.6
[M]- 215.08080 144.6
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.