CID 45091966

220243-54-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCCCC1CO1

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(12)11-6-4-5-8-7-13-8/h8H,4-7H2,1-3H3,(H,11,12)

InChIKey

WAUPLTBYJNZQJL-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(oxiran-2-yl)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 201.13649 Da
Monoisotopic Mass: 1.3
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]+	202.143766	147.2
[M+Na]+	224.125708	154.6
[M-H]-	200.129214	152.3
[M+NH4]+	219.170313	160.4
[M+K]+	240.099648	154.2
[M+H-H2O]+	184.133750	141.0
[M+HCOO]-	246.134691	168.5
[M+CH3COO]-	260.150341	189.7
[M+Na-2H]-	222.111156	153.5
[M]+	201.13594142	153.3
[M]-	201.13703858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe