CID 121604226

1935385-39-9

Structural Information

Molecular Formula

C₁₂H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(CCC1C2)C(=O)O

InChI

InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(9(14)15)5-4-8(13)6-12/h8H,4-7H2,1-3H3,(H,14,15)

InChIKey

PPLYOBSEWYKGDC-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.13141 Da
Monoisotopic Mass: 1.2
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]+	242.138686	158.2
[M+Na]+	264.120628	164.5
[M-H]-	240.124134	158.3
[M+NH4]+	259.165233	180.9
[M+K]+	280.094568	163.7
[M+H-H2O]+	224.128670	155.0
[M+HCOO]-	286.129611	173.3
[M+CH3COO]-	300.145261	187.7
[M+Na-2H]-	262.106076	160.3
[M]+	241.13086142	158.9
[M]-	241.13195858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe