CID 10727173

201039-13-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1CC#N

InChI

InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-6,8H2,1-3H3/t9-/m1/s1

InChIKey

GSNDDHMLFYORQI-SECBINFHSA-N

Compound name

tert-butyl (2R)-2-(cyanomethyl)pyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 210.13683 Da
Monoisotopic Mass: 1.4
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]+	211.144106	149.5
[M+Na]+	233.126048	157.4
[M-H]-	209.129554	151.1
[M+NH4]+	228.170653	167.0
[M+K]+	249.099988	155.9
[M+H-H2O]+	193.134090	136.9
[M+HCOO]-	255.135031	164.9
[M+CH3COO]-	269.150681	197.3
[M+Na-2H]-	231.111496	151.4
[M]+	210.13628142	144.6
[M]-	210.13737858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe