CID 79421149

1505359-06-7

Structural Information

Molecular Formula

C₁₃H₁₉NO₄

SMILES

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

InChI

InChI=1S/C13H19NO4/c1-5-6-13(10(15)16)7-8-14(9-13)11(17)18-12(2,3)4/h1H,6-9H2,2-4H3,(H,15,16)

InChIKey

FZKVLWPUMSSMNN-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-ynylpyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.13141 Da
Monoisotopic Mass: 1.2
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]+	254.138686	160.0
[M+Na]+	276.120628	168.3
[M-H]-	252.124134	159.5
[M+NH4]+	271.165233	176.7
[M+K]+	292.094568	165.3
[M+H-H2O]+	236.128670	149.2
[M+HCOO]-	298.129611	171.1
[M+CH3COO]-	312.145261	196.9
[M+Na-2H]-	274.106076	160.3
[M]+	253.13086142	154.9
[M]-	253.13195858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe