CID 12416324

N-isopropylpyrrolidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)N1CCCC1

InChI

InChI=1S/C7H15N/c1-7(2)8-5-3-4-6-8/h7H,3-6H2,1-2H3

InChIKey

YQOPNAOQGQSUHF-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6149
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	126.2
[M+Na]+	136.10967	132.0
[M-H]-	112.11317	127.8
[M+NH4]+	131.15427	149.2
[M+K]+	152.08361	131.9
[M+H-H2O]+	96.117710	120.3
[M+HCOO]-	158.11865	146.9
[M+CH3COO]-	172.13430	169.8
[M+Na-2H]-	134.09512	129.8
[M]+	113.11990	123.0
[M]-	113.12100	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe