CID 18504220

1358799-04-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NC1CC=C(C1)C(=O)O

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4,8H,5-6H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

ZHFQKTKVKQBVQF-UHFFFAOYSA-N

Compound name

4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.11575 Da
Monoisotopic Mass: 1.4
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]+	228.123026	151.6
[M+Na]+	250.104968	157.0
[M-H]-	226.108474	153.7
[M+NH4]+	245.149573	170.5
[M+K]+	266.078908	156.4
[M+H-H2O]+	210.113010	146.5
[M+HCOO]-	272.113951	171.9
[M+CH3COO]-	286.129601	187.7
[M+Na-2H]-	248.090416	153.3
[M]+	227.11520142	151.5
[M]-	227.11629858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe