CID 123365

4-ethyl-1-hexene

Structural Information

Molecular Formula
C8H16
SMILES
CCC(CC)CC=C
InChI
InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKey
OPMUAJRVOWSBTP-UHFFFAOYSA-N
Compound name
4-ethylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

5881
Patents

112.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.132476 126.3
[M+Na]+ 135.114418 132.8
[M-H]- 111.117924 126.5
[M+NH4]+ 130.159023 149.4
[M+K]+ 151.088358 132.1
[M+H-H2O]+ 95.122460 122.1
[M+HCOO]- 157.123401 148.7
[M+CH3COO]- 171.139051 173.4
[M+Na-2H]- 133.099866 131.3
[M]+ 112.12465142 127.1
[M]- 112.12574858 127.1
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