CID 198666

90245-33-3

Structural Information

Molecular Formula
C5H13O2PS
SMILES
CCP(=O)(OC)SCC
InChI
InChI=1S/C5H13O2PS/c1-4-8(6,7-3)9-5-2/h4-5H2,1-3H3
InChIKey
VIRFWZXOEASPIZ-UHFFFAOYSA-N
Compound name
1-[ethylsulfanyl(methoxy)phosphoryl]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03738 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04466 134.6
[M+Na]+ 191.02660 142.4
[M-H]- 167.03010 134.3
[M+NH4]+ 186.07120 156.6
[M+K]+ 207.00054 141.9
[M+H-H2O]+ 151.03464 127.9
[M+HCOO]- 213.03558 158.0
[M+CH3COO]- 227.05123 178.5
[M+Na-2H]- 189.01205 135.9
[M]+ 168.03683 140.8
[M]- 168.03793 140.8
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.