CID 3918599

2-butylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCCCC1CCCN1

InChI

InChI=1S/C8H17N/c1-2-3-5-8-6-4-7-9-8/h8-9H,2-7H2,1H3

InChIKey

CKHOSERPJPIUIL-UHFFFAOYSA-N

Compound name

2-butylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 127.1361 Da
Monoisotopic Mass: 2.1
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]+	128.143376	131.1
[M+Na]+	150.125318	136.3
[M-H]-	126.128824	131.0
[M+NH4]+	145.169923	152.8
[M+K]+	166.099258	134.5
[M+H-H2O]+	110.133360	125.1
[M+HCOO]-	172.134301	150.9
[M+CH3COO]-	186.149951	169.3
[M+Na-2H]-	148.110766	134.8
[M]+	127.13555142	127.0
[M]-	127.13664858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe