CID 3032774

Phenethyldithiocarbamic acid sodium salt

Structural Information

Molecular Formula
C9H11NS2
SMILES
C1=CC=C(C=C1)CCNC(=S)S
InChI
InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)
InChIKey
BZIYHCQUSPCWQC-UHFFFAOYSA-N
Compound name
2-phenylethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

64
Patents

197.0333 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04058 138.5
[M+Na]+ 220.02252 145.4
[M-H]- 196.02602 141.7
[M+NH4]+ 215.06712 158.1
[M+K]+ 235.99646 140.6
[M+H-H2O]+ 180.03056 132.4
[M+HCOO]- 242.03150 151.8
[M+CH3COO]- 256.04715 184.2
[M+Na-2H]- 218.00797 140.3
[M]+ 197.03275 139.1
[M]- 197.03385 139.1
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.