CID 155977968

2624135-59-5

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

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

InChI

InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-12(8-18-4)5-13(14,6-12)9(15)16/h5-8H2,1-4H3,(H,15,16)

InChIKey

JPCJSZYJVGCTSQ-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)-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: 0
Patents: 271.14197 Da
Monoisotopic Mass: 0.8
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]+	272.149246	177.2
[M+Na]+	294.131188	181.7
[M-H]-	270.134694	175.5
[M+NH4]+	289.175793	195.8
[M+K]+	310.105128	183.8
[M+H-H2O]+	254.139230	171.7
[M+HCOO]-	316.140171	188.5
[M+CH3COO]-	330.155821	198.5
[M+Na-2H]-	292.116636	182.0
[M]+	271.14142142	193.5
[M]-	271.14251858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe