CID 113007

Propanenitrile, 3-(10-undecenyloxy)-

Structural Information

Molecular Formula

C₁₄H₂₅NO

SMILES

C=CCCCCCCCCCOCCC#N

InChI

InChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15/h2H,1,3-11,13-14H2

InChIKey

AWVSLVUVZWTQDK-UHFFFAOYSA-N

Compound name

3-undec-10-enoxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 223.19362 Da
Monoisotopic Mass: 4.3
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]+	224.200896	150.7
[M+Na]+	246.182838	157.2
[M-H]-	222.186344	150.4
[M+NH4]+	241.227443	167.5
[M+K]+	262.156778	154.5
[M+H-H2O]+	206.190880	138.5
[M+HCOO]-	268.191821	169.3
[M+CH3COO]-	282.207471	204.7
[M+Na-2H]-	244.168286	154.2
[M]+	223.19307142	150.6
[M]-	223.19416858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe