CID 76223754

1824396-79-3

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CC(C#C)(C1CC1)N

InChI

InChI=1S/C7H11N/c1-3-7(2,8)6-4-5-6/h1,6H,4-5,8H2,2H3

InChIKey

HOXUQNXPWIDOOZ-UHFFFAOYSA-N

Compound name

2-cyclopropylbut-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 109.08915 Da
Monoisotopic Mass: 0.4
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]+	110.09643	121.5
[M+Na]+	132.07837	136.2
[M-H]-	108.08187	126.6
[M+NH4]+	127.12297	139.0
[M+K]+	148.05231	130.9
[M+H-H2O]+	92.086410	113.3
[M+HCOO]-	154.08735	140.7
[M+CH3COO]-	168.10300	183.8
[M+Na-2H]-	130.06382	129.4
[M]+	109.08860	118.3
[M]-	109.08970	118.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.