CID 67321908

71740-76-6

Structural Information

Molecular Formula

C₁₆H₂₅NO₄

SMILES

CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C16H25NO4/c1-14(2,3)21-13(20)17-16-7-10-4-11(8-16)6-15(5-10,9-16)12(18)19/h10-11H,4-9H2,1-3H3,(H,17,20)(H,18,19)

InChIKey

UQFIEGHBAUBUKC-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 295.17834 Da
Monoisotopic Mass: 2.3
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]+	296.185616	175.0
[M+Na]+	318.167558	175.7
[M-H]-	294.171064	168.1
[M+NH4]+	313.212163	197.9
[M+K]+	334.141498	174.0
[M+H-H2O]+	278.175600	170.2
[M+HCOO]-	340.176541	177.4
[M+CH3COO]-	354.192191	208.5
[M+Na-2H]-	316.153006	185.0
[M]+	295.17779142	176.4
[M]-	295.17888858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe