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 148.1
[M+Na]+ 246.03242 154.1
[M-H]- 222.03592 147.1
[M+NH4]+ 241.07702 167.0
[M+K]+ 262.00636 152.6
[M+H-H2O]+ 206.04046 140.3
[M+HCOO]- 268.04140 171.3
[M+CH3COO]- 282.05705 189.4
[M+Na-2H]- 244.01787 147.9
[M]+ 223.04265 153.2
[M]- 223.04375 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.