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 170.0
[M+Na]+ 316.14706 171.8
[M-H]- 292.15056 171.9
[M+NH4]+ 311.19166 186.6
[M+K]+ 332.12100 170.7
[M+H-H2O]+ 276.15510 160.5
[M+HCOO]- 338.15604 189.7
[M+CH3COO]- 352.17169 207.1
[M+Na-2H]- 314.13251 167.3
[M]+ 293.15729 172.7
[M]- 293.15839 172.7
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.