CID 24836180

Carbamic acid, diethyldithio-, 2-pyridylmethyl ester

Structural Information

Molecular Formula
C11H16N2S2
SMILES
CCN(CC)C(=S)SCC1=CC=CC=N1
InChI
InChI=1S/C11H16N2S2/c1-3-13(4-2)11(14)15-9-10-7-5-6-8-12-10/h5-8H,3-4,9H2,1-2H3
InChIKey
KVEMRZQIRJTORL-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.07549 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08277 151.1
[M+Na]+ 263.06471 157.4
[M-H]- 239.06821 154.1
[M+NH4]+ 258.10931 168.4
[M+K]+ 279.03865 153.4
[M+H-H2O]+ 223.07275 143.6
[M+HCOO]- 285.07369 163.1
[M+CH3COO]- 299.08934 195.3
[M+Na-2H]- 261.05016 151.4
[M]+ 240.07494 154.0
[M]- 240.07604 154.0
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

patents stripe