CID 19526

Methyl dimethyldithiocarbamate

Structural Information

Molecular Formula
C4H9NS2
SMILES
CN(C)C(=S)SC
InChI
InChI=1S/C4H9NS2/c1-5(2)4(6)7-3/h1-3H3
InChIKey
NBBZMDUHKWRYSZ-UHFFFAOYSA-N
Compound name
methyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

159
Patents

135.01764 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02492 124.2
[M+Na]+ 158.00686 131.4
[M-H]- 134.01036 126.1
[M+NH4]+ 153.05146 146.9
[M+K]+ 173.98080 130.1
[M+H-H2O]+ 118.01490 118.8
[M+HCOO]- 180.01584 137.2
[M+CH3COO]- 194.03149 177.0
[M+Na-2H]- 155.99231 124.5
[M]+ 135.01709 126.2
[M]- 135.01819 126.2
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