CID 3080355

Propanamide, n-methyl-3-((2-phosphonothio)ethyl)amino-, monolithium salt

Structural Information

Molecular Formula
C6H15N2O4PS
SMILES
CNC(=O)CCNCCSP(=O)(O)O
InChI
InChI=1S/C6H15N2O4PS/c1-7-6(9)2-3-8-4-5-14-13(10,11)12/h8H,2-5H2,1H3,(H,7,9)(H2,10,11,12)
InChIKey
QCJFXDZQQOPZBW-UHFFFAOYSA-N
Compound name
2-[[3-(methylamino)-3-oxopropyl]amino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.04901 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05629 151.3
[M+Na]+ 265.03823 155.2
[M-H]- 241.04173 147.1
[M+NH4]+ 260.08283 167.3
[M+K]+ 281.01217 153.1
[M+H-H2O]+ 225.04627 143.0
[M+HCOO]- 287.04721 172.6
[M+CH3COO]- 301.06286 189.6
[M+Na-2H]- 263.02368 151.4
[M]+ 242.04846 153.2
[M]- 242.04956 153.2
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.