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

5020
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 136.1
[M+Na]+ 184.07665 142.3
[M-H]- 160.08015 137.9
[M+NH4]+ 179.12125 158.0
[M+K]+ 200.05059 142.4
[M+H-H2O]+ 144.08469 130.5
[M+HCOO]- 206.08563 154.8
[M+CH3COO]- 220.10128 183.0
[M+Na-2H]- 182.06210 137.4
[M]+ 161.08688 140.1
[M]- 161.08798 140.1
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