CID 215600

Brn 1244469

Structural Information

Molecular Formula
C10H17NO2S2
SMILES
C1CCC2(CC1)SCC(S2)COC(=O)N
InChI
InChI=1S/C10H17NO2S2/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10/h8H,1-7H2,(H2,11,12)
InChIKey
XGIRBWKKCPENLG-UHFFFAOYSA-N
Compound name
1,4-dithiaspiro[4.5]decan-3-ylmethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07007 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07735 153.4
[M+Na]+ 270.05929 157.6
[M-H]- 246.06279 156.7
[M+NH4]+ 265.10389 174.3
[M+K]+ 286.03323 154.5
[M+H-H2O]+ 230.06733 148.6
[M+HCOO]- 292.06827 161.8
[M+CH3COO]- 306.08392 187.7
[M+Na-2H]- 268.04474 152.7
[M]+ 247.06952 149.5
[M]- 247.07062 149.5
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.