CID 62290

82412-31-5

Structural Information

Molecular Formula
C15H32OS
SMILES
CCCCCCCCCCCCSCC(C)O
InChI
InChI=1S/C15H32OS/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h15-16H,3-14H2,1-2H3
InChIKey
WDDZBOVSJYUUHL-UHFFFAOYSA-N
Compound name
1-dodecylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

260.21738 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22466 168.4
[M+Na]+ 283.20660 171.1
[M-H]- 259.21010 165.7
[M+NH4]+ 278.25120 185.2
[M+K]+ 299.18054 167.5
[M+H-H2O]+ 243.21464 162.1
[M+HCOO]- 305.21558 181.5
[M+CH3COO]- 319.23123 198.2
[M+Na-2H]- 281.19205 165.7
[M]+ 260.21683 174.0
[M]- 260.21793 174.0
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

patents stripe