CID 12085062

676371-64-5

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

CC(C)(C)OC(=O)NC12CC(C1)(C2)C(=O)OC

InChI

InChI=1S/C12H19NO4/c1-10(2,3)17-9(15)13-12-5-11(6-12,7-12)8(14)16-4/h5-7H2,1-4H3,(H,13,15)

InChIKey

KDOXMPLTEPMVQD-UHFFFAOYSA-N

Compound name

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 241.13141 Da
Monoisotopic Mass: 1.1
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]+	242.138686	180.9
[M+Na]+	264.120628	181.6
[M-H]-	240.124134	183.2
[M+NH4]+	259.165233	184.1
[M+K]+	280.094568	189.0
[M+H-H2O]+	224.128670	167.0
[M+HCOO]-	286.129611	191.0
[M+CH3COO]-	300.145261	218.2
[M+Na-2H]-	262.106076	184.4
[M]+	241.13086142	207.0
[M]-	241.13195858	207.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe