CID 82504

O-ethyl s-methyl phosphoramidothioate

Structural Information

Molecular Formula
C3H10NO2PS
SMILES
CCOP(=O)(N)SC
InChI
InChI=1S/C3H10NO2PS/c1-3-6-7(4,5)8-2/h3H2,1-2H3,(H2,4,5)
InChIKey
MINHJPWDPAMUSK-UHFFFAOYSA-N
Compound name
[amino(methylsulfanyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

155.01698 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.024256 129.7
[M+Na]+ 178.006198 137.3
[M-H]- 154.009704 128.9
[M+NH4]+ 173.050803 151.4
[M+K]+ 193.980138 136.6
[M+H-H2O]+ 138.014240 122.7
[M+HCOO]- 200.015181 153.9
[M+CH3COO]- 214.030831 176.4
[M+Na-2H]- 175.991646 131.2
[M]+ 155.01643142 133.1
[M]- 155.01752858 133.1
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

patents stripe