CID 21493711

Tert-tetradecanethiol

Structural Information

Molecular Formula
C14H30S
SMILES
CCCCCCCCCCCC(C)(C)S
InChI
InChI=1S/C14H30S/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-13H2,1-3H3
InChIKey
LMDDHLWHSDZGIH-UHFFFAOYSA-N
Compound name
2-methyltridecane-2-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1072
Patents

230.20682 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21410 160.3
[M+Na]+ 253.19604 164.7
[M-H]- 229.19954 159.6
[M+NH4]+ 248.24064 179.4
[M+K]+ 269.16998 161.8
[M+H-H2O]+ 213.20408 154.7
[M+HCOO]- 275.20502 174.6
[M+CH3COO]- 289.22067 195.8
[M+Na-2H]- 251.18149 160.3
[M]+ 230.20627 166.2
[M]- 230.20737 166.2
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