CID 15840

1866-98-4

Structural Information

Molecular Formula

C₉H₂₃NO₂PS

SMILES

CC(C)OP(=O)(C)SCC[N+](C)(C)C

InChI

InChI=1S/C9H23NO2PS/c1-9(2)12-13(6,11)14-8-7-10(3,4)5/h9H,7-8H2,1-6H3/q+1

InChIKey

ICVORHBSXMYVGD-UHFFFAOYSA-N

Compound name

trimethyl-[2-[methyl(propan-2-yloxy)phosphoryl]sulfanylethyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 240.11871 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.12599	152.0
[M+Na]+	263.10793	161.2
[M+NH4]+	258.15253	159.9
[M+K]+	279.08187	156.4
[M-H]-	239.11143	152.2
[M+Na-2H]-	261.09338	154.8
[M]+	240.11816	154.0
[M]-	240.11926	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe