CID 3041825

58607-62-8

Structural Information

Molecular Formula
C11H24NO3PS
SMILES
CC(C)N(CCSP1(=O)OCCCO1)C(C)C
InChI
InChI=1S/C11H24NO3PS/c1-10(2)12(11(3)4)6-9-17-16(13)14-7-5-8-15-16/h10-11H,5-9H2,1-4H3
InChIKey
OTGROTPYXLDXNZ-UHFFFAOYSA-N
Compound name
N-[2-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.12146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12874 166.0
[M+Na]+ 304.11068 168.6
[M-H]- 280.11418 169.7
[M+NH4]+ 299.15528 182.1
[M+K]+ 320.08462 171.3
[M+H-H2O]+ 264.11872 157.5
[M+HCOO]- 326.11966 184.3
[M+CH3COO]- 340.13531 204.2
[M+Na-2H]- 302.09613 164.3
[M]+ 281.12091 169.8
[M]- 281.12201 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.