CID 137935771

2253632-60-7

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-10-6-7-4-8(10)5-9(7)11(15)16/h7-10H,4-6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8-,9-,10-/m1/s1

InChIKey

HTVUZWNAUSJSOF-ZYUZMQFOSA-N

Compound name

(1R,2R,4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.14706 Da
Monoisotopic Mass: 1.7
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]+	256.154336	161.6
[M+Na]+	278.136278	166.4
[M-H]-	254.139784	162.9
[M+NH4]+	273.180883	182.9
[M+K]+	294.110218	165.3
[M+H-H2O]+	238.144320	158.2
[M+HCOO]-	300.145261	178.6
[M+CH3COO]-	314.160911	194.8
[M+Na-2H]-	276.121726	162.1
[M]+	255.14651142	161.4
[M]-	255.14760858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.