CID 545889

2-methylpentadecane-2-thiol

Structural Information

Molecular Formula
C16H34S
SMILES
CCCCCCCCCCCCCC(C)(C)S
InChI
InChI=1S/C16H34S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h17H,4-15H2,1-3H3
InChIKey
ZJCZFAAXZODMQT-UHFFFAOYSA-N
Compound name
2-methylpentadecane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2590
Patents

258.23813 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.245406 169.1
[M+Na]+ 281.227348 172.6
[M-H]- 257.230854 168.0
[M+NH4]+ 276.271953 187.1
[M+K]+ 297.201288 169.2
[M+H-H2O]+ 241.235390 163.1
[M+HCOO]- 303.236331 182.7
[M+CH3COO]- 317.251981 201.7
[M+Na-2H]- 279.212796 168.1
[M]+ 258.23758142 175.7
[M]- 258.23867858 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe