CID 17389968

914202-85-0

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CCC(C)N1CCC(C1)CN

InChI

InChI=1S/C9H20N2/c1-3-8(2)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3

InChIKey

UXHLFFAPGDGJKW-UHFFFAOYSA-N

Compound name

(1-butan-2-ylpyrrolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.16264 Da
Monoisotopic Mass: 1.0
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]+	157.169916	139.3
[M+Na]+	179.151858	144.3
[M-H]-	155.155364	140.3
[M+NH4]+	174.196463	160.2
[M+K]+	195.125798	143.1
[M+H-H2O]+	139.159900	132.7
[M+HCOO]-	201.160841	159.7
[M+CH3COO]-	215.176491	180.9
[M+Na-2H]-	177.137306	140.4
[M]+	156.16209142	135.4
[M]-	156.16318858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe