CID 122155824

1955492-38-2

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CCOCC2

InChI

InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-8-13(9(14)10(15)16)4-6-18-7-5-13/h9H,4-8H2,1-3H3,(H,15,16)

InChIKey

RZOBBGRZUFFURI-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.14197 Da
Monoisotopic Mass: 1.0
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	159.7
[M+Na]+	294.131188	162.6
[M-H]-	270.134694	162.4
[M+NH4]+	289.175793	168.3
[M+K]+	310.105128	166.8
[M+H-H2O]+	254.139230	149.3
[M+HCOO]-	316.140171	171.0
[M+CH3COO]-	330.155821	195.8
[M+Na-2H]-	292.116636	162.9
[M]+	271.14142142	167.1
[M]-	271.14251858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe