CID 19589

4-methyl-1-hexene

Structural Information

Molecular Formula
C7H14
SMILES
CCC(C)CC=C
InChI
InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKey
SUWJESCICIOQHO-UHFFFAOYSA-N
Compound name
4-methylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12488
Patents

98.10955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.116826 121.6
[M+Na]+ 121.09877 128.5
[M-H]- 97.102274 122.0
[M+NH4]+ 116.14337 145.2
[M+K]+ 137.07271 128.1
[M+H-H2O]+ 81.106810 117.6
[M+HCOO]- 143.10775 144.3
[M+CH3COO]- 157.12340 170.3
[M+Na-2H]- 119.08422 127.2
[M]+ 98.109001 122.0
[M]- 98.110099 122.0
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