CID 56842744

Thioimidodicarbonic acid ((ho)c(o)nhc(s)(oh)), dipropyl ester

Structural Information

Molecular Formula
C8H15NO2S2
SMILES
CCCOC(=S)NC(=S)OCCC
InChI
InChI=1S/C8H15NO2S2/c1-3-5-10-7(12)9-8(13)11-6-4-2/h3-6H2,1-2H3,(H,9,12,13)
InChIKey
AKLNVGPHXDQVAD-UHFFFAOYSA-N
Compound name
O-propyl N-propoxycarbothioylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

221.05443 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06171 148.4
[M+Na]+ 244.04365 153.6
[M-H]- 220.04715 148.0
[M+NH4]+ 239.08825 167.0
[M+K]+ 260.01759 150.4
[M+H-H2O]+ 204.05169 142.3
[M+HCOO]- 266.05263 159.6
[M+CH3COO]- 280.06828 187.7
[M+Na-2H]- 242.02910 146.9
[M]+ 221.05388 152.0
[M]- 221.05498 152.0
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

No patent data available for this compound.