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
5
Annotation Hits

0
References

5872
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 124.6
[M+Na]+ 133.09877 131.2
[M-H]- 109.10227 125.0
[M+NH4]+ 128.14337 147.6
[M+K]+ 149.07271 130.4
[M+H-H2O]+ 93.106810 120.6
[M+HCOO]- 155.10775 146.2
[M+CH3COO]- 169.12340 173.2
[M+Na-2H]- 131.08422 128.5
[M]+ 110.10900 124.0
[M]- 110.11010 124.0
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