CID 6437559

Trans,trans-1,3,7-decatriene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC/C=C/CC/C=C/C=C

InChI

InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3,5-8H,1,4,9-10H2,2H3/b7-5+,8-6+

InChIKey

FDBJNQUXZRDJHC-KQQUZDAGSA-N

Compound name

(3E,7E)-deca-1,3,7-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 136.1252 Da
Monoisotopic Mass: 3.7
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]+	137.132476	132.1
[M+Na]+	159.114418	138.8
[M-H]-	135.117924	132.0
[M+NH4]+	154.159023	154.3
[M+K]+	175.088358	136.0
[M+H-H2O]+	119.122460	127.7
[M+HCOO]-	181.123401	155.3
[M+CH3COO]-	195.139051	175.4
[M+Na-2H]-	157.099866	137.4
[M]+	136.12465142	132.8
[M]-	136.12574858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe