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

2
Annotation Hits: 0
References: 20
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]+	224.20090	150.7
[M+Na]+	246.18284	157.2
[M-H]-	222.18634	150.4
[M+NH4]+	241.22744	167.5
[M+K]+	262.15678	154.5
[M+H-H2O]+	206.19088	138.5
[M+HCOO]-	268.19182	169.3
[M+CH3COO]-	282.20747	204.7
[M+Na-2H]-	244.16829	154.2
[M]+	223.19307	150.6
[M]-	223.19417	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe