CID 118158

3-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC1CCNC1

InChI

InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3

InChIKey

KYINPWAJIVTFBW-UHFFFAOYSA-N

Compound name

3-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6715
Patents: 85.08915 Da
Monoisotopic Mass: 0.7
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]+	86.096426	117.3
[M+Na]+	108.07837	123.8
[M-H]-	84.081874	117.8
[M+NH4]+	103.12297	140.8
[M+K]+	124.05231	122.9
[M+H-H2O]+	68.086410	111.9
[M+HCOO]-	130.08735	138.1
[M+CH3COO]-	144.10300	160.1
[M+Na-2H]-	106.06382	122.8
[M]+	85.088601	112.1
[M]-	85.089699	112.1

Literature stripe

literature stripe

Patent stripe

patents stripe