CID 90424691

Schembl16057398

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C1(CC1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO4/c1-7(11(5-6-11)8(13)14)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)

InChIKey

NMOYTCHDVORVHV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.13141 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]+	230.138686	150.6
[M+Na]+	252.120628	157.5
[M-H]-	228.124134	153.8
[M+NH4]+	247.165233	164.9
[M+K]+	268.094568	156.7
[M+H-H2O]+	212.128670	146.8
[M+HCOO]-	274.129611	169.2
[M+CH3COO]-	288.145261	192.6
[M+Na-2H]-	250.106076	154.3
[M]+	229.13086142	154.8
[M]-	229.13195858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe