CID 138724

6323-79-1

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CCCN(CCC)CC#C

InChI

InChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h1H,5-9H2,2-3H3

InChIKey

ATTMKPWGJILFFV-UHFFFAOYSA-N

Compound name

N-propyl-N-prop-2-ynylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 139.1361 Da
Monoisotopic Mass: 2.2
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]+	140.14338	130.6
[M+Na]+	162.12532	138.5
[M-H]-	138.12882	131.3
[M+NH4]+	157.16992	150.5
[M+K]+	178.09926	137.6
[M+H-H2O]+	122.13336	119.5
[M+HCOO]-	184.13430	149.4
[M+CH3COO]-	198.14995	191.1
[M+Na-2H]-	160.11077	135.3
[M]+	139.13555	127.5
[M]-	139.13665	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe