CID 559452

Brn 1972511

Structural Information

Molecular Formula
C13H28NO2PS
SMILES
CCN(CC)CCSP(=O)(C)OC1CCCCC1
InChI
InChI=1S/C13H28NO2PS/c1-4-14(5-2)11-12-18-17(3,15)16-13-9-7-6-8-10-13/h13H,4-12H2,1-3H3
InChIKey
QWKIFCRAOFDMSP-UHFFFAOYSA-N
Compound name
2-[cyclohexyloxy(methyl)phosphoryl]sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.15784 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16512 168.7
[M+Na]+ 316.14706 175.2
[M+NH4]+ 311.19166 175.8
[M+K]+ 332.12100 168.1
[M-H]- 292.15056 169.6
[M+Na-2H]- 314.13251 171.0
[M]+ 293.15729 170.0
[M]- 293.15839 170.0
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.