CID 24839888

93115-66-3

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCN(CC)CC(C#N)O

InChI

InChI=1S/C7H14N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-4,6H2,1-2H3

InChIKey

ZSXXDTMZLZFOEW-UHFFFAOYSA-N

Compound name

3-(diethylamino)-2-hydroxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.11061 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]+	143.117886	131.3
[M+Na]+	165.099828	138.6
[M-H]-	141.103334	132.0
[M+NH4]+	160.144433	150.5
[M+K]+	181.073768	139.3
[M+H-H2O]+	125.107870	119.7
[M+HCOO]-	187.108811	150.7
[M+CH3COO]-	201.124461	192.4
[M+Na-2H]-	163.085276	135.6
[M]+	142.11006142	127.3
[M]-	142.11115858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.