CID 24256

7615-82-9

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CCCCCC(C)NCC#C

InChI

InChI=1S/C10H19N/c1-4-6-7-8-10(3)11-9-5-2/h2,10-11H,4,6-9H2,1,3H3

InChIKey

AGQBAKDLUADXOF-UHFFFAOYSA-N

Compound name

N-prop-2-ynylheptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 44
Patents: 153.15175 Da
Monoisotopic Mass: 2.7
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]+	154.15903	136.3
[M+Na]+	176.14097	143.4
[M-H]-	152.14447	135.5
[M+NH4]+	171.18557	155.0
[M+K]+	192.11491	141.4
[M+H-H2O]+	136.14901	125.2
[M+HCOO]-	198.14995	153.4
[M+CH3COO]-	212.16560	191.3
[M+Na-2H]-	174.12642	139.9
[M]+	153.15120	131.7
[M]-	153.15230	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe