CID 12992

2,5-dimethyl-2,4-hexadiene

Structural Information

Molecular Formula
C8H14
SMILES
CC(=CC=C(C)C)C
InChI
InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKey
DZPCYXCBXGQBRN-UHFFFAOYSA-N
Compound name
2,5-dimethylhexa-2,4-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

3405
Patents

110.10955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.116826 125.0
[M+Na]+ 133.098768 131.8
[M-H]- 109.102274 125.4
[M+NH4]+ 128.143373 148.2
[M+K]+ 149.072708 130.9
[M+H-H2O]+ 93.106810 121.0
[M+HCOO]- 155.107751 146.6
[M+CH3COO]- 169.123401 171.9
[M+Na-2H]- 131.084216 128.8
[M]+ 110.10900142 124.2
[M]- 110.11009858 124.2
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