CID 123448814

1822978-75-5

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NCC1CC2C(C1)O2

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-6-7-4-8-9(5-7)14-8/h7-9H,4-6H2,1-3H3,(H,12,13)

InChIKey

DBQMOSUYSLJHCT-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-oxabicyclo[3.1.0]hexan-3-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.13649 Da
Monoisotopic Mass: 1.4
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]+	214.14377	148.3
[M+Na]+	236.12571	156.4
[M-H]-	212.12921	154.1
[M+NH4]+	231.17031	163.8
[M+K]+	252.09965	155.2
[M+H-H2O]+	196.13375	143.4
[M+HCOO]-	258.13469	167.9
[M+CH3COO]-	272.15034	191.5
[M+Na-2H]-	234.11116	153.8
[M]+	213.13594	153.3
[M]-	213.13704	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe