CID 8297

Ethoate-methyl

Structural Information

Molecular Formula
C6H14NO3PS2
SMILES
CCNC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C6H14NO3PS2/c1-4-7-6(8)5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)
InChIKey
DICRHEJCQXFJBY-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

5498
Patents

243.01527 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02255 148.1
[M+Na]+ 266.00449 153.6
[M-H]- 242.00799 146.7
[M+NH4]+ 261.04909 166.1
[M+K]+ 281.97843 151.2
[M+H-H2O]+ 226.01253 139.6
[M+HCOO]- 288.01347 165.6
[M+CH3COO]- 302.02912 192.0
[M+Na-2H]- 263.98994 146.7
[M]+ 243.01472 153.6
[M]- 243.01582 153.6
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.