CID 118987358

1450752-97-2

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C#CCCC1(N=N1)CCN

InChI

InChI=1S/C7H11N3/c1-2-3-4-7(5-6-8)9-10-7/h1H,3-6,8H2

InChIKey

FMCIBERQJQEYIZ-UHFFFAOYSA-N

Compound name

2-(3-but-3-ynyldiazirin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 137.09529 Da
Monoisotopic Mass: 0.5
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]+	138.10257	128.6
[M+Na]+	160.08451	144.0
[M-H]-	136.08801	130.7
[M+NH4]+	155.12911	144.2
[M+K]+	176.05845	138.4
[M+H-H2O]+	120.09255	118.7
[M+HCOO]-	182.09349	147.7
[M+CH3COO]-	196.10914	187.5
[M+Na-2H]-	158.06996	137.4
[M]+	137.09474	127.9
[M]-	137.09584	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe