CID 215500

Brn 1245267

Structural Information

Molecular Formula
C11H19NO2S2
SMILES
C1CCCC2(CC1)SCC(S2)COC(=O)N
InChI
InChI=1S/C11H19NO2S2/c12-10(13)14-7-9-8-15-11(16-9)5-3-1-2-4-6-11/h9H,1-8H2,(H2,12,13)
InChIKey
KFNSWGUVOZGKNC-UHFFFAOYSA-N
Compound name
1,4-dithiaspiro[4.6]undecan-3-ylmethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.092996 160.7
[M+Na]+ 284.074938 161.3
[M-H]- 260.078444 164.4
[M+NH4]+ 279.119543 178.8
[M+K]+ 300.048878 162.1
[M+H-H2O]+ 244.082980 155.0
[M+HCOO]- 306.083921 167.8
[M+CH3COO]- 320.099571 192.0
[M+Na-2H]- 282.060386 158.1
[M]+ 261.08517142 153.3
[M]- 261.08626858 153.3
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.