CID 13756229

2174000-26-9

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC(C)(C)NCCC#C

InChI

InChI=1S/C8H15N/c1-5-6-7-9-8(2,3)4/h1,9H,6-7H2,2-4H3

InChIKey

LWVYOMKPGFFZIY-UHFFFAOYSA-N

Compound name

N-but-3-ynyl-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 125.12045 Da
Monoisotopic Mass: 1.4
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]+	126.127726	130.6
[M+Na]+	148.109668	139.1
[M-H]-	124.113174	130.5
[M+NH4]+	143.154273	150.6
[M+K]+	164.083608	137.8
[M+H-H2O]+	108.117710	120.5
[M+HCOO]-	170.118651	147.8
[M+CH3COO]-	184.134301	184.8
[M+Na-2H]-	146.095116	136.6
[M]+	125.11990142	125.4
[M]-	125.12099858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe