CID 257640

Dimethyldithiocarbamic acid allyl ester

Structural Information

Molecular Formula
C6H11NS2
SMILES
CN(C)C(=S)SCC=C
InChI
InChI=1S/C6H11NS2/c1-4-5-9-6(8)7(2)3/h4H,1,5H2,2-3H3
InChIKey
ZFMLVJCASVPGIT-UHFFFAOYSA-N
Compound name
prop-2-enyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

161.0333 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04058 131.9
[M+Na]+ 184.02252 138.7
[M-H]- 160.02602 133.6
[M+NH4]+ 179.06712 153.6
[M+K]+ 199.99646 136.2
[M+H-H2O]+ 144.03056 126.3
[M+HCOO]- 206.03150 144.6
[M+CH3COO]- 220.04715 182.0
[M+Na-2H]- 182.00797 131.4
[M]+ 161.03275 134.1
[M]- 161.03385 134.1
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