CID 10966228

155905-79-6

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCC=C1C(=O)OC

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h6H,5,7H2,1-4H3

InChIKey

WGLBHPHVXHFWDE-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 5-O-methyl 2,3-dihydropyrrole-1,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 227.11575 Da
Monoisotopic Mass: 1.6
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	151.1
[M+Na]+	250.104968	158.0
[M-H]-	226.108474	153.5
[M+NH4]+	245.149573	170.0
[M+K]+	266.078908	158.4
[M+H-H2O]+	210.113010	145.5
[M+HCOO]-	272.113951	170.8
[M+CH3COO]-	286.129601	187.2
[M+Na-2H]-	248.090416	153.0
[M]+	227.11520142	154.3
[M]-	227.11629858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe