CID 14919857

(but-3-yn-2-yl)(butyl)amine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CCCCNC(C)C#C

InChI

InChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h2,8-9H,4,6-7H2,1,3H3

InChIKey

KDSAVXVFCNHJEB-UHFFFAOYSA-N

Compound name

N-but-3-yn-2-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 125.12045 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]+	126.12773	128.3
[M+Na]+	148.10967	136.2
[M-H]-	124.11317	127.9
[M+NH4]+	143.15427	148.1
[M+K]+	164.08361	134.8
[M+H-H2O]+	108.11771	117.6
[M+HCOO]-	170.11865	146.0
[M+CH3COO]-	184.13430	185.8
[M+Na-2H]-	146.09512	132.9
[M]+	125.11990	123.1
[M]-	125.12100	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe