CID 157119

77821-22-8

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)O

InChI

InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)11-12-6-4-5-7(12)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)/t7-/m0/s1

InChIKey

PBLCAESKICYLIR-ZETCQYMHSA-N

Compound name

(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 230.12666 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]+	231.133936	152.6
[M+Na]+	253.115878	157.4
[M-H]-	229.119384	153.2
[M+NH4]+	248.160483	170.0
[M+K]+	269.089818	157.3
[M+H-H2O]+	213.123920	146.8
[M+HCOO]-	275.124861	170.6
[M+CH3COO]-	289.140511	187.8
[M+Na-2H]-	251.101326	154.0
[M]+	230.12611142	151.3
[M]-	230.12720858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe