CID 10240953

Diethylthiocarbamic acid methyl ester

Structural Information

Molecular Formula
C6H13NOS
SMILES
CCN(CC)C(=S)OC
InChI
InChI=1S/C6H13NOS/c1-4-7(5-2)6(9)8-3/h4-5H2,1-3H3
InChIKey
JEUZJMXPVCUAMW-UHFFFAOYSA-N
Compound name
O-methyl N,N-diethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

24
Patents

147.0718 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 131.5
[M+Na]+ 170.06102 138.2
[M-H]- 146.06452 133.5
[M+NH4]+ 165.10562 154.0
[M+K]+ 186.03496 138.5
[M+H-H2O]+ 130.06906 126.2
[M+HCOO]- 192.07000 150.6
[M+CH3COO]- 206.08565 179.9
[M+Na-2H]- 168.04647 133.4
[M]+ 147.07125 135.2
[M]- 147.07235 135.2
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