CID 19988534

2-propoxyethane-1-thiol

Structural Information

Molecular Formula
C5H12OS
SMILES
CCCOCCS
InChI
InChI=1S/C5H12OS/c1-2-3-6-4-5-7/h7H,2-5H2,1H3
InChIKey
XKCOJHCUPMEEHC-UHFFFAOYSA-N
Compound name
2-propoxyethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

120.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.068156 123.0
[M+Na]+ 143.050098 130.7
[M-H]- 119.053604 123.7
[M+NH4]+ 138.094703 146.3
[M+K]+ 159.024038 130.3
[M+H-H2O]+ 103.058140 118.5
[M+HCOO]- 165.059081 141.9
[M+CH3COO]- 179.074731 170.2
[M+Na-2H]- 141.035546 127.0
[M]+ 120.06033142 127.4
[M]- 120.06142858 127.4
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