CID 12704

Methyl diethyldithiocarbamate

Structural Information

Molecular Formula
C6H13NS2
SMILES
CCN(CC)C(=S)SC
InChI
InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
InChIKey
JYRXPFCUABYLPD-UHFFFAOYSA-N
Compound name
methyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

165
Patents

163.04893 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05621 132.8
[M+Na]+ 186.03815 139.2
[M-H]- 162.04165 134.4
[M+NH4]+ 181.08275 154.5
[M+K]+ 202.01209 137.4
[M+H-H2O]+ 146.04619 127.1
[M+HCOO]- 208.04713 145.3
[M+CH3COO]- 222.06278 182.9
[M+Na-2H]- 184.02360 132.3
[M]+ 163.04838 135.6
[M]- 163.04948 135.6
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