CID 43655163

2-{[(tert-butoxy)carbonyl](cyclopropylmethyl)amino}acetic acid

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N(CC1CC1)CC(=O)O

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(7-9(13)14)6-8-4-5-8/h8H,4-7H2,1-3H3,(H,13,14)

InChIKey

KNPPPZVDRMFWMS-UHFFFAOYSA-N

Compound name

2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.13141 Da
Monoisotopic Mass: 1.5
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	151.5
[M+Na]+	252.120628	158.1
[M-H]-	228.124134	155.8
[M+NH4]+	247.165233	164.6
[M+K]+	268.094568	157.2
[M+H-H2O]+	212.128670	145.8
[M+HCOO]-	274.129611	172.0
[M+CH3COO]-	288.145261	195.4
[M+Na-2H]-	250.106076	154.3
[M]+	229.13086142	157.0
[M]-	229.13195858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe