CID 207726

Brn 2440339

Structural Information

Molecular Formula
C6H14NO3PS
SMILES
CC(C)C(=O)NP(=O)(OC)SC
InChI
InChI=1S/C6H14NO3PS/c1-5(2)6(8)7-11(9,10-3)12-4/h5H,1-4H3,(H,7,8,9)
InChIKey
LGNBMDMPPQKBLR-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0432 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05048 146.5
[M+Na]+ 234.03242 152.8
[M+NH4]+ 229.07702 152.3
[M+K]+ 250.00636 148.7
[M-H]- 210.03592 143.8
[M+Na-2H]- 232.01787 147.0
[M]+ 211.04265 146.6
[M]- 211.04375 146.6
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.