CID 87347689

4-dodecenenitrile, (4z)-

Structural Information

Molecular Formula

C₁₂H₂₁N

SMILES

CCCCCCC/C=C\CCC#N

InChI

InChI=1S/C12H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-9H,2-7,10-11H2,1H3/b9-8-

InChIKey

IILUGPORCAQJLA-HJWRWDBZSA-N

Compound name

(Z)-dodec-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10
Patents: 179.1674 Da
Monoisotopic Mass: 4.4
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]+	180.17468	141.0
[M+Na]+	202.15662	148.3
[M-H]-	178.16012	141.1
[M+NH4]+	197.20122	159.5
[M+K]+	218.13056	145.7
[M+H-H2O]+	162.16466	129.4
[M+HCOO]-	224.16560	160.0
[M+CH3COO]-	238.18125	197.1
[M+Na-2H]-	200.14207	145.4
[M]+	179.16685	138.8
[M]-	179.16795	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe