CID 21680456

2,2,4-trimethylpyrrolidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C[C@H]1CC(NC1)(C)C

InChI

InChI=1S/C7H15N/c1-6-4-7(2,3)8-5-6/h6,8H,4-5H2,1-3H3/t6-/m0/s1

InChIKey

AJMDMNYTTSGFEL-LURJTMIESA-N

Compound name

(4S)-2,2,4-trimethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 113.12045 Da
Monoisotopic Mass: 1.3
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]+	114.12773	124.5
[M+Na]+	136.10967	132.1
[M-H]-	112.11317	125.4
[M+NH4]+	131.15427	149.3
[M+K]+	152.08361	130.7
[M+H-H2O]+	96.117710	120.0
[M+HCOO]-	158.11865	144.8
[M+CH3COO]-	172.13430	166.9
[M+Na-2H]-	134.09512	129.4
[M]+	113.11990	120.7
[M]-	113.12100	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe