CID 15516206

334769-80-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1

InChIKey

BSAYEGDCKUEPNE-YUMQZZPRSA-N

Compound name

(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 446
Patents: 229.13141 Da
Monoisotopic Mass: 1.7
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	152.4
[M+Na]+	252.12063	158.7
[M-H]-	228.12413	153.3
[M+NH4]+	247.16523	170.6
[M+K]+	268.09457	158.3
[M+H-H2O]+	212.12867	147.4
[M+HCOO]-	274.12961	169.0
[M+CH3COO]-	288.14526	187.0
[M+Na-2H]-	250.10608	152.3
[M]+	229.13086	152.7
[M]-	229.13196	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe