CID 77155

Propanenitrile, 3-(hexadecyloxy)-

Structural Information

Molecular Formula

C₁₉H₃₇NO

SMILES

CCCCCCCCCCCCCCCCOCCC#N

InChI

InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h2-16,18-19H2,1H3

InChIKey

UAHOEGZWOAYFTI-UHFFFAOYSA-N

Compound name

3-hexadecoxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 295.2875 Da
Monoisotopic Mass: 7.5
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]+	296.29478	170.1
[M+Na]+	318.27672	174.5
[M-H]-	294.28022	169.0
[M+NH4]+	313.32132	184.5
[M+K]+	334.25066	171.2
[M+H-H2O]+	278.28476	157.1
[M+HCOO]-	340.28570	187.2
[M+CH3COO]-	354.30135	218.9
[M+Na-2H]-	316.26217	171.5
[M]+	295.28695	172.4
[M]-	295.28805	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe