CID 15587542

Refchem:892192

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC1CCC(N1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H21NO2/c1-8-6-7-9(2)12(8)10(13)14-11(3,4)5/h8-9H,6-7H2,1-5H3

InChIKey

FZSBLLYQAULJDU-UHFFFAOYSA-N

Compound name

tert-butyl 2,5-dimethylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 199.15723 Da
Monoisotopic Mass: 2.5
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]+	200.164506	147.8
[M+Na]+	222.146448	154.8
[M-H]-	198.149954	150.0
[M+NH4]+	217.191053	168.3
[M+K]+	238.120388	154.3
[M+H-H2O]+	182.154490	142.6
[M+HCOO]-	244.155431	166.3
[M+CH3COO]-	258.171081	185.5
[M+Na-2H]-	220.131896	149.0
[M]+	199.15668142	148.4
[M]-	199.15777858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe