CID 5368910

2,3-dimethyl-1,4-hexadiene

Structural Information

Molecular Formula
C8H14
SMILES
C/C=C/C(C)C(=C)C
InChI
InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
InChIKey
QGDVKFLWAVKNAA-AATRIKPKSA-N
Compound name
(4E)-2,3-dimethylhexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

40
Patents

110.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 124.8
[M+Na]+ 133.09877 131.5
[M-H]- 109.10227 125.2
[M+NH4]+ 128.14337 147.9
[M+K]+ 149.07271 130.6
[M+H-H2O]+ 93.106810 120.8
[M+HCOO]- 155.10775 146.4
[M+CH3COO]- 169.12340 172.6
[M+Na-2H]- 131.08422 128.6
[M]+ 110.10900 124.1
[M]- 110.11010 124.1
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