CID 18055

Ethiolate

Structural Information

Molecular Formula
C7H15NOS
SMILES
CCN(CC)C(=O)SCC
InChI
InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKey
WARIWGPBHKPYON-UHFFFAOYSA-N
Compound name
S-ethyl N,N-diethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4719
Patents

161.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 137.2
[M+Na]+ 184.07665 146.0
[M+NH4]+ 179.12125 145.4
[M+K]+ 200.05059 138.9
[M-H]- 160.08015 137.6
[M+Na-2H]- 182.06210 140.0
[M]+ 161.08688 138.8
[M]- 161.08798 138.8
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