CID 139022503

Rac-(1r,2r)-2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

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

InChI

InChI=1S/C11H19NO4/c1-6(7-5-8(7)9(13)14)12-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)/t6?,7-,8+/m0/s1

InChIKey

ITPSRQWNZXVSNJ-ZHFSPANRSA-N

Compound name

trans-(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.13141 Da
Monoisotopic Mass: 1.3
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]+	230.138686	149.6
[M+Na]+	252.120628	156.7
[M-H]-	228.124134	152.9
[M+NH4]+	247.165233	162.3
[M+K]+	268.094568	154.8
[M+H-H2O]+	212.128670	144.4
[M+HCOO]-	274.129611	168.6
[M+CH3COO]-	288.145261	194.2
[M+Na-2H]-	250.106076	151.4
[M]+	229.13086142	153.7
[M]-	229.13195858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.