CID 3024273

1-methoxyhexane-3-thiol

Structural Information

Molecular Formula
C7H16OS
SMILES
CCCC(CCOC)S
InChI
InChI=1S/C7H16OS/c1-3-4-7(9)5-6-8-2/h7,9H,3-6H2,1-2H3
InChIKey
GTDLILFCRHJTRW-UHFFFAOYSA-N
Compound name
1-methoxyhexane-3-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

432
Patents

148.0922 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09948 132.6
[M+Na]+ 171.08142 139.1
[M-H]- 147.08492 133.0
[M+NH4]+ 166.12602 154.7
[M+K]+ 187.05536 138.6
[M+H-H2O]+ 131.08946 127.7
[M+HCOO]- 193.09040 149.7
[M+CH3COO]- 207.10605 177.0
[M+Na-2H]- 169.06687 134.3
[M]+ 148.09165 137.1
[M]- 148.09275 137.1
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