CID 313190

69131-34-6

Structural Information

Molecular Formula
C18H30OS2
SMILES
CCSC1(C2(CCCCC2)C(=O)C13CCCCC3)SCC
InChI
InChI=1S/C18H30OS2/c1-3-20-18(21-4-2)16(11-7-5-8-12-16)15(19)17(18)13-9-6-10-14-17/h3-14H2,1-2H3
InChIKey
CRPUVDCGONRSAA-UHFFFAOYSA-N
Compound name
14,14-bis(ethylsulfanyl)dispiro[5.1.58.16]tetradecan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1738 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18108 165.6
[M+Na]+ 349.16302 166.5
[M-H]- 325.16652 169.5
[M+NH4]+ 344.20762 179.4
[M+K]+ 365.13696 165.1
[M+H-H2O]+ 309.17106 155.1
[M+HCOO]- 371.17200 168.2
[M+CH3COO]- 385.18765 207.1
[M+Na-2H]- 347.14847 166.6
[M]+ 326.17325 170.4
[M]- 326.17435 170.4
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

patents stripe