CID 544585

2-butyl-1-hexene

Structural Information

Molecular Formula
C10H20
SMILES
CCCCC(=C)CCCC
InChI
InChI=1S/C10H20/c1-4-6-8-10(3)9-7-5-2/h3-9H2,1-2H3
InChIKey
SEFXBCYTMUNYFC-UHFFFAOYSA-N
Compound name
5-methylidenenonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

140.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 135.7
[M+Na]+ 163.14572 141.4
[M-H]- 139.14922 135.5
[M+NH4]+ 158.19032 157.6
[M+K]+ 179.11966 140.1
[M+H-H2O]+ 123.15376 131.1
[M+HCOO]- 185.15470 157.4
[M+CH3COO]- 199.17035 179.5
[M+Na-2H]- 161.13117 139.6
[M]+ 140.15595 137.2
[M]- 140.15705 137.2
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