CID 118987360

1450754-41-2

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C#CCCC1(N=N1)CCO

InChI

InChI=1S/C7H10N2O/c1-2-3-4-7(5-6-10)8-9-7/h1,10H,3-6H2

InChIKey

NMIZSJAOOMXKDJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 138.07932 Da
Monoisotopic Mass: 0.8
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]+	139.08660	128.2
[M+Na]+	161.06854	144.1
[M-H]-	137.07204	129.6
[M+NH4]+	156.11314	143.6
[M+K]+	177.04248	138.4
[M+H-H2O]+	121.07658	118.6
[M+HCOO]-	183.07752	145.9
[M+CH3COO]-	197.09317	183.4
[M+Na-2H]-	159.05399	137.2
[M]+	138.07877	128.7
[M]-	138.07987	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe