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 144.8
[M+Na]+ 234.03242 150.7
[M-H]- 210.03592 144.1
[M+NH4]+ 229.07702 164.2
[M+K]+ 250.00636 150.6
[M+H-H2O]+ 194.04046 137.2
[M+HCOO]- 256.04140 167.1
[M+CH3COO]- 270.05705 188.1
[M+Na-2H]- 232.01787 144.0
[M]+ 211.04265 149.7
[M]- 211.04375 149.7
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.