CID 394147

145681-01-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)OC

InChI

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

InChIKey

WVDGSSCWFMSRHN-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 526
Patents: 229.13141 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]+	230.13869	152.6
[M+Na]+	252.12063	159.7
[M+NH4]+	247.16523	157.9
[M+K]+	268.09457	159.1
[M-H]-	228.12413	150.2
[M+Na-2H]-	250.10608	153.7
[M]+	229.13086	152.4
[M]-	229.13196	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe