CID 12648198

3-propylpyrrolidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCCC1CCNC1

InChI

InChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3

InChIKey

RKFKEXKTXWGBCN-UHFFFAOYSA-N

Compound name

3-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 457
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]+	114.127726	126.5
[M+Na]+	136.109668	132.1
[M-H]-	112.113174	126.6
[M+NH4]+	131.154273	148.8
[M+K]+	152.083608	130.7
[M+H-H2O]+	96.117710	120.7
[M+HCOO]-	158.118651	146.7
[M+CH3COO]-	172.134301	166.2
[M+Na-2H]-	134.095116	130.8
[M]+	113.11990142	122.0
[M]-	113.12099858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe