CID 522490

Pyrrolidine, 1-propyl-

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCCN1CCCC1

InChI

InChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3

InChIKey

HLNRRPIYRBBHSQ-UHFFFAOYSA-N

Compound name

1-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6238
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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	125.7
[M+Na]+	136.10967	131.7
[M-H]-	112.11317	127.1
[M+NH4]+	131.15427	148.7
[M+K]+	152.08361	131.2
[M+H-H2O]+	96.117710	119.6
[M+HCOO]-	158.11865	147.3
[M+CH3COO]-	172.13430	169.0
[M+Na-2H]-	134.09512	130.5
[M]+	113.11990	123.1
[M]-	113.12100	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe