CID 12106196

302331-20-0

Structural Information

Molecular Formula

C₁₀H₂₁NO₆S

SMILES

CC(C)(C)OC(=O)NCCOCCOS(=O)(=O)C

InChI

InChI=1S/C10H21NO6S/c1-10(2,3)17-9(12)11-5-6-15-7-8-16-18(4,13)14/h5-8H2,1-4H3,(H,11,12)

InChIKey

ZDLSZXWATPDDQS-UHFFFAOYSA-N

Compound name

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 283.10895 Da
Monoisotopic Mass: 0.2
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]+	284.116226	163.2
[M+Na]+	306.098168	168.4
[M-H]-	282.101674	163.0
[M+NH4]+	301.142773	179.1
[M+K]+	322.072108	168.3
[M+H-H2O]+	266.106210	157.4
[M+HCOO]-	328.107151	179.1
[M+CH3COO]-	342.122801	197.0
[M+Na-2H]-	304.083616	166.7
[M]+	283.10840142	171.7
[M]-	283.10949858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe