CID 3050667

Ammonium, diethylmethyl(2-(2-oxo-1,3,2-dioxaphosphorinan-2-ylthio)ethyl)-, methanesulfonate

Structural Information

Molecular Formula
C10H23NO3PS
SMILES
CC[N+](C)(CC)CCSP1(=O)OCCCO1
InChI
InChI=1S/C10H23NO3PS/c1-4-11(3,5-2)7-10-16-15(12)13-8-6-9-14-15/h4-10H2,1-3H3/q+1
InChIKey
YQUHMXIEPAYAFT-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)sulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11362 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12090 155.5
[M+Na]+ 291.10284 159.6
[M-H]- 267.10634 159.8
[M+NH4]+ 286.14744 172.6
[M+K]+ 307.07678 155.9
[M+H-H2O]+ 251.11088 150.4
[M+HCOO]- 313.11182 175.5
[M+CH3COO]- 327.12747 192.2
[M+Na-2H]- 289.08829 162.0
[M]+ 268.11307 158.3
[M]- 268.11417 158.3
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.