CID 88804

13726-69-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

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

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1

InChIKey

BENKAPCDIOILGV-RQJHMYQMSA-N

Compound name

(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4988
Patents: 231.11067 Da
Monoisotopic Mass: 0.3
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]+	232.11795	151.3
[M+Na]+	254.09989	157.2
[M+NH4]+	249.14449	155.4
[M+K]+	270.07383	158.3
[M-H]-	230.10339	147.3
[M+Na-2H]-	252.08534	150.7
[M]+	231.11012	150.3
[M]-	231.11122	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe