CID 22468

2-methyl-1-hexene

Structural Information

Molecular Formula
C7H14
SMILES
CCCCC(=C)C
InChI
InChI=1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3
InChIKey
IRUDSQHLKGNCGF-UHFFFAOYSA-N
Compound name
2-methylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

4833
Patents

98.10955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 122.0
[M+Na]+ 121.09877 133.2
[M+NH4]+ 116.14337 131.0
[M+K]+ 137.07271 126.7
[M-H]- 97.102274 122.3
[M+Na-2H]- 119.08422 126.6
[M]+ 98.109001 123.6
[M]- 98.110099 123.6
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