CID 282203

23430-95-7

Structural Information

Molecular Formula
C13H23NO2S
SMILES
CCN(CC)C1C=CCC2C1S(=O)(=O)C2(C)C
InChI
InChI=1S/C13H23NO2S/c1-5-14(6-2)11-9-7-8-10-12(11)17(15,16)13(10,3)4/h7,9-12H,5-6,8H2,1-4H3
InChIKey
QJCHNJSMOALMHZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-8,8-dimethyl-7,7-dioxo-7lambda6-thiabicyclo[4.2.0]oct-3-en-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.15224 154.1
[M+Na]+ 280.13418 159.8
[M-H]- 256.13768 159.3
[M+NH4]+ 275.17878 170.4
[M+K]+ 296.10812 161.1
[M+H-H2O]+ 240.14222 144.4
[M+HCOO]- 302.14316 168.7
[M+CH3COO]- 316.15881 203.7
[M+Na-2H]- 278.11963 156.9
[M]+ 257.14441 166.7
[M]- 257.14551 166.7
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.