CID 156704513

2386475-28-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)O)CO

InChI

InChI=1S/C12H19NO5/c1-10(2,3)18-9(17)13-6-11(7-14)4-12(13,5-11)8(15)16/h14H,4-7H2,1-3H3,(H,15,16)

InChIKey

CUOXOHBPFDXALG-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.1263 Da
Monoisotopic Mass: 0.3
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]+	258.133576	174.4
[M+Na]+	280.115518	179.0
[M-H]-	256.119024	171.6
[M+NH4]+	275.160123	192.9
[M+K]+	296.089458	180.6
[M+H-H2O]+	240.123560	169.3
[M+HCOO]-	302.124501	184.6
[M+CH3COO]-	316.140151	193.4
[M+Na-2H]-	278.100966	179.2
[M]+	257.12575142	188.7
[M]-	257.12684858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe