CID 219001

41495-66-3

Structural Information

Molecular Formula
C8H17O3PS
SMILES
COP(=O)(OC1CCCCC1)SC
InChI
InChI=1S/C8H17O3PS/c1-10-12(9,13-2)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey
URBFGHZYNPEYKC-UHFFFAOYSA-N
Compound name
[methoxy(methylsulfanyl)phosphoryl]oxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07088 147.6
[M+Na]+ 247.05282 152.3
[M-H]- 223.05632 149.2
[M+NH4]+ 242.09742 166.7
[M+K]+ 263.02676 151.7
[M+H-H2O]+ 207.06086 139.6
[M+HCOO]- 269.06180 167.9
[M+CH3COO]- 283.07745 185.8
[M+Na-2H]- 245.03827 147.7
[M]+ 224.06305 149.5
[M]- 224.06415 149.5
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.