CID 131751101

Beta-triticene

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CCCCCCCCCC/C=C/C=C\C=O

InChI

InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h11-15H,2-10H2,1H3/b12-11+,14-13-

InChIKey

WJGSBYJVUWVJLB-WCYNZMGESA-N

Compound name

(2Z,4E)-pentadeca-2,4-dienal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 222.19836 Da
Monoisotopic Mass: 6.0
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]+	223.20564	158.4
[M+Na]+	245.18758	163.0
[M-H]-	221.19108	157.2
[M+NH4]+	240.23218	177.0
[M+K]+	261.16152	159.1
[M+H-H2O]+	205.19562	152.6
[M+HCOO]-	267.19656	180.1
[M+CH3COO]-	281.21221	192.5
[M+Na-2H]-	243.17303	160.8
[M]+	222.19781	162.4
[M]-	222.19891	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.