CID 3504483

51077-13-5

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1CC=CC1C(=O)O

InChI

InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)

InChIKey

BMIGSRMSSCUMAZ-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 213.10011 Da
Monoisotopic Mass: 1.1
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]+	214.10739	147.3
[M+Na]+	236.08933	154.9
[M+NH4]+	231.13393	152.4
[M+K]+	252.06327	154.7
[M-H]-	212.09283	144.5
[M+Na-2H]-	234.07478	148.8
[M]+	213.09956	147.1
[M]-	213.10066	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe