CID 19090605

3,3-diethylpyrrolidine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC1(CCNC1)CC

InChI

InChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3

InChIKey

MHFVZMTVFSGIBV-UHFFFAOYSA-N

Compound name

3,3-diethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 127.1361 Da
Monoisotopic Mass: 1.8
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]+	128.143376	130.1
[M+Na]+	150.125318	136.2
[M-H]-	126.128824	130.4
[M+NH4]+	145.169923	153.9
[M+K]+	166.099258	134.6
[M+H-H2O]+	110.133360	125.0
[M+HCOO]-	172.134301	149.9
[M+CH3COO]-	186.149951	168.8
[M+Na-2H]-	148.110766	135.0
[M]+	127.13555142	126.2
[M]-	127.13664858	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe