CID 21711028

3-methoxypropane-1-thiol

Structural Information

Molecular Formula
C4H10OS
SMILES
COCCCS
InChI
InChI=1S/C4H10OS/c1-5-3-2-4-6/h6H,2-4H2,1H3
InChIKey
SUBKXISIZSZEQQ-UHFFFAOYSA-N
Compound name
3-methoxypropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

481
Patents

106.045235 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05251 118.5
[M+Na]+ 129.03445 126.6
[M-H]- 105.03796 119.4
[M+NH4]+ 124.07906 142.3
[M+K]+ 145.00839 126.5
[M+H-H2O]+ 89.042495 114.2
[M+HCOO]- 151.04344 137.7
[M+CH3COO]- 165.05909 167.2
[M+Na-2H]- 127.01990 123.0
[M]+ 106.04469 122.5
[M]- 106.04578 122.5
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