CID 382564

Nsc670172

Structural Information

Molecular Formula
C16H30OS2
SMILES
C1CCCCCC2(C(CCCC1)CO)SCCCS2
InChI
InChI=1S/C16H30OS2/c17-14-15-10-7-5-3-1-2-4-6-8-11-16(15)18-12-9-13-19-16/h15,17H,1-14H2
InChIKey
RGADCAJAGVIHLP-UHFFFAOYSA-N
Compound name
1,5-dithiaspiro[5.11]heptadecan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1738 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18108 168.1
[M+Na]+ 325.16302 168.2
[M-H]- 301.16652 167.0
[M+NH4]+ 320.20762 182.0
[M+K]+ 341.13696 164.9
[M+H-H2O]+ 285.17106 165.6
[M+HCOO]- 347.17200 169.1
[M+CH3COO]- 361.18765 174.1
[M+Na-2H]- 323.14847 165.4
[M]+ 302.17325 155.8
[M]- 302.17435 155.8
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.