CID 84875

Zincdiamyldithiocarbamate

Structural Information

Molecular Formula
C11H23NS2
SMILES
CCCCCN(CCCCC)C(=S)S
InChI
InChI=1S/C11H23NS2/c1-3-5-7-9-12(11(13)14)10-8-6-4-2/h3-10H2,1-2H3,(H,13,14)
InChIKey
JWHFYIKVRLMUCH-UHFFFAOYSA-N
Compound name
dipentylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3164
Patents

233.1272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13448 153.9
[M+Na]+ 256.11642 158.2
[M-H]- 232.11992 154.5
[M+NH4]+ 251.16102 172.8
[M+K]+ 272.09036 155.1
[M+H-H2O]+ 216.12446 147.2
[M+HCOO]- 278.12540 164.9
[M+CH3COO]- 292.14105 198.3
[M+Na-2H]- 254.10187 151.2
[M]+ 233.12665 158.6
[M]- 233.12775 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.