CID 303425

1904-22-9

Structural Information

Molecular Formula

SMILES

C#CCOCCC#N

InChI

InChI=1S/C6H7NO/c1-2-5-8-6-3-4-7/h1H,3,5-6H2

InChIKey

CRUYGVGJZNUPRI-UHFFFAOYSA-N

Compound name

3-prop-2-ynoxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 109.052765 Da
Monoisotopic Mass: -0.1
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]+	110.06004	149.2
[M+Na]+	132.04198	157.2
[M+NH4]+	127.08659	150.1
[M+K]+	148.01592	147.4
[M-H]-	108.04549	137.7
[M+Na-2H]-	130.02743	147.8
[M]+	109.05222	145.8
[M]-	109.05331	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe