CID 3041615

(1-oxopropyl)phosphoramidothioic acid o-methyl s-2-propenyl ester

Structural Information

Molecular Formula
C7H14NO3PS
SMILES
CCC(=O)NP(=O)(OC)SCC=C
InChI
InChI=1S/C7H14NO3PS/c1-4-6-13-12(10,11-3)8-7(9)5-2/h4H,1,5-6H2,2-3H3,(H,8,9,10)
InChIKey
FILACZGQIOMMOX-UHFFFAOYSA-N
Compound name
N-[methoxy(prop-2-enylsulfanyl)phosphoryl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0432 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05048 150.0
[M+Na]+ 246.03242 156.6
[M+NH4]+ 241.07702 155.5
[M+K]+ 262.00636 151.2
[M-H]- 222.03592 147.3
[M+Na-2H]- 244.01787 150.5
[M]+ 223.04265 150.1
[M]- 223.04375 150.1
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.