CID 90818

2-tridecenenitrile

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CCCCCCCCCCC=CC#N

InChI

InChI=1S/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3

InChIKey

WKSPQBFDRTUGEF-UHFFFAOYSA-N

Compound name

tridec-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1821
Patents: 193.18304 Da
Monoisotopic Mass: 5.6
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]+	194.19032	148.5
[M+Na]+	216.17226	158.1
[M+NH4]+	211.21686	152.7
[M+K]+	232.14620	147.1
[M-H]-	192.17576	141.4
[M+Na-2H]-	214.15771	149.4
[M]+	193.18249	146.9
[M]-	193.18359	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe