CID 5412989

8,9-dicyano-1,4-dioxa-7,10-dithiacyclododec-8-ene

Structural Information

Molecular Formula
C10H12N2O2S2
SMILES
C1COCCS/C(=C(\SCCO1)/C#N)/C#N
InChI
InChI=1S/C10H12N2O2S2/c11-7-9-10(8-12)16-6-4-14-2-1-13-3-5-15-9/h1-6H2/b10-9-
InChIKey
ODJAJVAAPDLRIQ-KTKRTIGZSA-N
Compound name
(8Z)-1,4-dioxa-7,10-dithiacyclododec-8-ene-8,9-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.03403 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04131 163.4
[M+Na]+ 279.02325 173.2
[M-H]- 255.02675 167.2
[M+NH4]+ 274.06785 172.4
[M+K]+ 294.99719 172.2
[M+H-H2O]+ 239.03129 151.2
[M+HCOO]- 301.03223 165.6
[M+CH3COO]- 315.04788 169.8
[M+Na-2H]- 277.00870 163.2
[M]+ 256.03348 154.0
[M]- 256.03458 154.0
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.