CID 18851

2,3-dimethyl-1-pentene

Structural Information

Molecular Formula
C7H14
SMILES
CCC(C)C(=C)C
InChI
InChI=1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3
InChIKey
LIMAEKMEXJTSNI-UHFFFAOYSA-N
Compound name
2,3-dimethylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1786
Patents

98.10955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.7
[M+Na]+ 121.098768 128.4
[M-H]- 97.102274 122.2
[M+NH4]+ 116.143373 145.2
[M+K]+ 137.072708 128.4
[M+H-H2O]+ 81.106810 117.8
[M+HCOO]- 143.107751 143.4
[M+CH3COO]- 157.123401 171.2
[M+Na-2H]- 119.084216 126.0
[M]+ 98.10900142 121.4
[M]- 98.11009858 121.4
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