CID 90817

2-undecenenitrile

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CCCCCCCCC=CC#N

InChI

InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8H2,1H3

InChIKey

HETFMJQWNWIBPN-UHFFFAOYSA-N

Compound name

undec-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 667
Patents: 165.15175 Da
Monoisotopic Mass: 4.5
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]+	166.15903	137.0
[M+Na]+	188.14097	144.8
[M-H]-	164.14447	137.4
[M+NH4]+	183.18557	156.1
[M+K]+	204.11491	142.4
[M+H-H2O]+	148.14901	125.6
[M+HCOO]-	210.14995	156.3
[M+CH3COO]-	224.16560	194.3
[M+Na-2H]-	186.12642	142.0
[M]+	165.15120	134.5
[M]-	165.15230	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe