CID 67345827

1784095-47-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(C(=O)O)OC

InChI

InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-5-11(7-12,16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)

InChIKey

UIJNTGYEUVCROE-UHFFFAOYSA-N

Compound name

3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 245.12633 Da
Monoisotopic Mass: 0.5
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]+	246.133606	154.2
[M+Na]+	268.115548	160.3
[M-H]-	244.119054	154.9
[M+NH4]+	263.160153	173.4
[M+K]+	284.089488	160.8
[M+H-H2O]+	228.123590	150.0
[M+HCOO]-	290.124531	171.1
[M+CH3COO]-	304.140181	187.5
[M+Na-2H]-	266.100996	156.5
[M]+	245.12578142	156.0
[M]-	245.12687858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe