CID 5364447

(e)-5-undecene

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

CCCCC/C=C/CCCC

InChI

InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h9,11H,3-8,10H2,1-2H3/b11-9+

InChIKey

NGCRXXLKJAAUQQ-PKNBQFBNSA-N

Compound name

(E)-undec-5-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 887
Patents: 154.17215 Da
Monoisotopic Mass: 5.2
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]+	155.179426	140.0
[M+Na]+	177.161368	145.6
[M-H]-	153.164874	139.6
[M+NH4]+	172.205973	161.5
[M+K]+	193.135308	143.7
[M+H-H2O]+	137.169410	135.1
[M+HCOO]-	199.170351	162.4
[M+CH3COO]-	213.186001	181.1
[M+Na-2H]-	175.146816	144.6
[M]+	154.17160142	142.5
[M]-	154.17269858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe