CID 5148195

73286-70-1

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC(C)(C)OC(=O)N1CC=CC1

InChI

InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3

InChIKey

YEBDZDMYLQHGGZ-UHFFFAOYSA-N

Compound name

tert-butyl 2,5-dihydropyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1126
Patents: 169.11028 Da
Monoisotopic Mass: 1.3
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]+	170.11756	138.6
[M+Na]+	192.09950	145.5
[M-H]-	168.10300	140.8
[M+NH4]+	187.14410	159.7
[M+K]+	208.07344	145.4
[M+H-H2O]+	152.10754	133.0
[M+HCOO]-	214.10848	159.3
[M+CH3COO]-	228.12413	176.7
[M+Na-2H]-	190.08495	143.0
[M]+	169.10973	139.1
[M]-	169.11083	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe