CID 494757

Nsc630692

Structural Information

Molecular Formula
C7H13O3PS
SMILES
COP1(=S)OCC2CCCC2O1
InChI
InChI=1S/C7H13O3PS/c1-8-11(12)9-5-6-3-2-4-7(6)10-11/h6-7H,2-5H2,1H3
InChIKey
OQSJCRXKXZPETK-UHFFFAOYSA-N
Compound name
2-methoxy-2-sulfanylidene-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3,2]dioxaphosphinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0323 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03958 138.7
[M+Na]+ 231.02152 145.9
[M-H]- 207.02502 142.9
[M+NH4]+ 226.06612 160.9
[M+K]+ 246.99546 147.2
[M+H-H2O]+ 191.02956 132.8
[M+HCOO]- 253.03050 158.4
[M+CH3COO]- 267.04615 181.1
[M+Na-2H]- 229.00697 140.9
[M]+ 208.03175 140.6
[M]- 208.03285 140.6
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.