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]+ 262.09300 160.7
[M+Na]+ 284.07494 161.3
[M-H]- 260.07844 164.4
[M+NH4]+ 279.11954 178.8
[M+K]+ 300.04888 162.1
[M+H-H2O]+ 244.08298 155.0
[M+HCOO]- 306.08392 167.8
[M+CH3COO]- 320.09957 192.0
[M+Na-2H]- 282.06039 158.1
[M]+ 261.08517 153.3
[M]- 261.08627 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.