CID 146049232

2411180-24-8

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

C[C@@]1(CCCN1C)C#C

InChI

InChI=1S/C8H13N/c1-4-8(2)6-5-7-9(8)3/h1H,5-7H2,2-3H3/t8-/m0/s1

InChIKey

VDQYLHYDLRRNLY-QMMMGPOBSA-N

Compound name

(2R)-2-ethynyl-1,2-dimethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 123.1048 Da
Monoisotopic Mass: 1.1
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]+	124.112076	124.0
[M+Na]+	146.094018	134.5
[M-H]-	122.097524	125.1
[M+NH4]+	141.138623	146.3
[M+K]+	162.067958	131.0
[M+H-H2O]+	106.102060	113.0
[M+HCOO]-	168.103001	140.1
[M+CH3COO]-	182.118651	180.2
[M+Na-2H]-	144.079466	128.5
[M]+	123.10425142	116.9
[M]-	123.10534858	116.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe