CID 12322

2,5-dimethyl-1,5-hexadiene

Structural Information

Molecular Formula
C8H14
SMILES
CC(=C)CCC(=C)C
InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKey
DSAYAFZWRDYBQY-UHFFFAOYSA-N
Compound name
2,5-dimethylhexa-1,5-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5107
Patents

110.10955 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 126.2
[M+Na]+ 133.09877 136.9
[M+NH4]+ 128.14337 134.6
[M+K]+ 149.07271 130.9
[M-H]- 109.10227 126.0
[M+Na-2H]- 131.08422 130.0
[M]+ 110.10900 127.5
[M]- 110.11010 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe