CID 23528

2,3-dimethyl-2-hexene

Structural Information

Molecular Formula
C8H16
SMILES
CCCC(=C(C)C)C
InChI
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5-6H2,1-4H3
InChIKey
RGYAVZGBAJFMIZ-UHFFFAOYSA-N
Compound name
2,3-dimethylhex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3579
Patents

112.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.6
[M+Na]+ 135.11442 133.0
[M-H]- 111.11792 126.9
[M+NH4]+ 130.15902 149.7
[M+K]+ 151.08836 132.7
[M+H-H2O]+ 95.122460 122.5
[M+HCOO]- 157.12340 148.0
[M+CH3COO]- 171.13905 173.5
[M+Na-2H]- 133.09987 130.4
[M]+ 112.12465 126.6
[M]- 112.12575 126.6
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