CID 131751102

Alpha-triticene

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CCCCCCCCCCC(=C)/C=C\C=O

InChI

InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-12-15(2)13-11-14-16/h11,13-14H,2-10,12H2,1H3/b13-11-

InChIKey

STNNDCBSPFQUIQ-QBFSEMIESA-N

Compound name

(Z)-4-methylidenetetradec-2-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 222.19836 Da
Monoisotopic Mass: 6.3
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]+	223.205636	158.8
[M+Na]+	245.187578	163.1
[M-H]-	221.191084	157.7
[M+NH4]+	240.232183	177.3
[M+K]+	261.161518	159.7
[M+H-H2O]+	205.195620	153.1
[M+HCOO]-	267.196561	179.6
[M+CH3COO]-	281.212211	193.9
[M+Na-2H]-	243.173026	160.0
[M]+	222.19781142	162.2
[M]-	222.19890858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.