CID 100921

Hercules 7845-c

Structural Information

Molecular Formula
C7H12NO4PS2
SMILES
COP(=S)(OC)SCN1C(=O)CCC1=O
InChI
InChI=1S/C7H12NO4PS2/c1-11-13(14,12-2)15-5-8-6(9)3-4-7(8)10/h3-5H2,1-2H3
InChIKey
DXESWGDCFGIHKC-UHFFFAOYSA-N
Compound name
1-(dimethoxyphosphinothioylsulfanylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.99454 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00182 151.4
[M+Na]+ 291.98376 159.2
[M-H]- 267.98726 152.5
[M+NH4]+ 287.02836 169.5
[M+K]+ 307.95770 156.9
[M+H-H2O]+ 251.99180 143.7
[M+HCOO]- 313.99274 168.0
[M+CH3COO]- 328.00839 192.3
[M+Na-2H]- 289.96921 148.3
[M]+ 268.99399 156.7
[M]- 268.99509 156.7
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

No patent data available for this compound.