CID 115873178

1566203-31-3

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC1(CCN(C1)CCCC#C)C

InChI

InChI=1S/C11H19N/c1-4-5-6-8-12-9-7-11(2,3)10-12/h1H,5-10H2,2-3H3

InChIKey

HIBXAOZYQDWXKZ-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1-pent-4-ynylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.15175 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]+	166.15903	136.8
[M+Na]+	188.14097	147.1
[M+NH4]+	183.18557	143.1
[M+K]+	204.11491	137.4
[M-H]-	164.14447	130.0
[M+Na-2H]-	186.12642	139.6
[M]+	165.15120	135.6
[M]-	165.15230	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.