CID 43810903

1049874-51-2

Structural Information

Molecular Formula

C₁₄H₂₃NO₄

SMILES

CC(C)(C)OC(=O)NC12CCCC(C1)(CC2)C(=O)O

InChI

InChI=1S/C14H23NO4/c1-12(2,3)19-11(18)15-14-6-4-5-13(9-14,7-8-14)10(16)17/h4-9H2,1-3H3,(H,15,18)(H,16,17)

InChIKey

OMRHXULPACVHAT-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.2.1]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.16272 Da
Monoisotopic Mass: 1.9
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]+	270.169996	164.5
[M+Na]+	292.151938	168.4
[M-H]-	268.155444	164.8
[M+NH4]+	287.196543	186.8
[M+K]+	308.125878	167.2
[M+H-H2O]+	252.159980	161.4
[M+HCOO]-	314.160921	178.9
[M+CH3COO]-	328.176571	194.7
[M+Na-2H]-	290.137386	169.4
[M]+	269.16217142	162.5
[M]-	269.16326858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe