CID 22325154

959905-06-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

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

InChI

InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12(4)11(5-6-11)7-8(13)14/h5-7H2,1-4H3,(H,13,14)

InChIKey

SHBMTBLHTGBEMO-UHFFFAOYSA-N

Compound name

2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 229.13141 Da
Monoisotopic Mass: 1.0
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	151.4
[M+Na]+	252.120628	158.7
[M-H]-	228.124134	156.0
[M+NH4]+	247.165233	166.4
[M+K]+	268.094568	158.7
[M+H-H2O]+	212.128670	147.3
[M+HCOO]-	274.129611	171.4
[M+CH3COO]-	288.145261	194.9
[M+Na-2H]-	250.106076	155.5
[M]+	229.13086142	157.4
[M]-	229.13195858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe