CID 3032369

Carbamodithioic acid, 1,6-hexanediylbis-, disodium salt

Structural Information

Molecular Formula
C8H16N2S4
SMILES
C(CCCNC(=S)S)CCNC(=S)S
InChI
InChI=1S/C8H16N2S4/c11-7(12)9-5-3-1-2-4-6-10-8(13)14/h1-6H2,(H2,9,11,12)(H2,10,13,14)
InChIKey
OIRYQVNBUOYUHW-UHFFFAOYSA-N
Compound name
6-(dithiocarboxyamino)hexylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

268.01962 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02690 155.2
[M+Na]+ 291.00884 158.5
[M-H]- 267.01234 151.8
[M+NH4]+ 286.05344 169.5
[M+K]+ 306.98278 148.8
[M+H-H2O]+ 251.01688 147.4
[M+HCOO]- 313.01782 153.1
[M+CH3COO]- 327.03347 201.4
[M+Na-2H]- 288.99429 152.9
[M]+ 268.01907 151.7
[M]- 268.02017 151.7
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