CID 91373

25276-70-4

Structural Information

Molecular Formula
C15H32S
SMILES
CCCCCCCCCCCCCCCS
InChI
InChI=1S/C15H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChIKey
IGMQODZGDORXEN-UHFFFAOYSA-N
Compound name
pentadecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1898
Patents

244.22247 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.22975 163.7
[M+Na]+ 267.21169 167.2
[M-H]- 243.21519 162.5
[M+NH4]+ 262.25629 182.1
[M+K]+ 283.18563 163.7
[M+H-H2O]+ 227.21973 157.3
[M+HCOO]- 289.22067 179.1
[M+CH3COO]- 303.23632 198.4
[M+Na-2H]- 265.19714 162.6
[M]+ 244.22192 170.4
[M]- 244.22302 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

literature stripe

Patent stripe

patents stripe