CID 12260

2,4-dimethyl-2-pentene

Structural Information

Molecular Formula
C7H14
SMILES
CC(C)C=C(C)C
InChI
InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3
InChIKey
VVCFYASOGFVJFN-UHFFFAOYSA-N
Compound name
2,4-dimethylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

733
Patents

98.10955 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.8
[M+Na]+ 121.098768 128.6
[M-H]- 97.102274 122.4
[M+NH4]+ 116.143373 145.5
[M+K]+ 137.072708 128.7
[M+H-H2O]+ 81.106810 118.0
[M+HCOO]- 143.107751 143.6
[M+CH3COO]- 157.123401 170.5
[M+Na-2H]- 119.084216 126.2
[M]+ 98.10900142 121.5
[M]- 98.11009858 121.5
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