CID 142537277

2219408-21-4

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)N(CC1CO1)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO3/c1-8(2)12(6-9-7-14-9)10(13)15-11(3,4)5/h8-9H,6-7H2,1-5H3

InChIKey

FJRFKZVSCKQTND-UHFFFAOYSA-N

Compound name

tert-butyl N-(oxiran-2-ylmethyl)-N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.15215 Da
Monoisotopic Mass: 1.6
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]+	216.15943	150.7
[M+Na]+	238.14137	157.8
[M-H]-	214.14487	157.3
[M+NH4]+	233.18597	164.1
[M+K]+	254.11531	158.9
[M+H-H2O]+	198.14941	144.5
[M+HCOO]-	260.15035	171.3
[M+CH3COO]-	274.16600	196.8
[M+Na-2H]-	236.12682	154.9
[M]+	215.15160	157.9
[M]-	215.15270	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe