CID 11597

1-hexene

Structural Information

Molecular Formula
C6H12
SMILES
CCCCC=C
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
InChIKey
LIKMAJRDDDTEIG-UHFFFAOYSA-N
Compound name
hex-1-ene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

357
References

114848
Patents

84.0939 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 116.6
[M+Na]+ 107.083118 124.1
[M-H]- 83.086624 117.0
[M+NH4]+ 102.127723 140.8
[M+K]+ 123.057058 123.6
[M+H-H2O]+ 67.091160 112.7
[M+HCOO]- 129.092101 140.6
[M+CH3COO]- 143.107751 166.5
[M+Na-2H]- 105.068566 124.0
[M]+ 84.09335142 117.2
[M]- 84.09444858 117.2
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