CID 25815

Amiphos

Structural Information

Molecular Formula
C6H14NO3PS2
SMILES
CC(=O)NCCSP(=S)(OC)OC
InChI
InChI=1S/C6H14NO3PS2/c1-6(8)7-4-5-13-11(12,9-2)10-3/h4-5H2,1-3H3,(H,7,8)
InChIKey
BETVNUCOOCCCIO-UHFFFAOYSA-N
Compound name
N-(2-dimethoxyphosphinothioylsulfanylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2061
Patents

243.01527 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe