CID 521342

2-butyl-1-decene

Structural Information

Molecular Formula
C14H28
SMILES
CCCCCCCCC(=C)CCCC
InChI
InChI=1S/C14H28/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h3-13H2,1-2H3
InChIKey
RMTSLZJISCPGBT-UHFFFAOYSA-N
Compound name
5-methylidenetridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

196.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.226376 154.2
[M+Na]+ 219.208318 158.3
[M-H]- 195.211824 153.3
[M+NH4]+ 214.252923 173.9
[M+K]+ 235.182258 155.9
[M+H-H2O]+ 179.216360 148.8
[M+HCOO]- 241.217301 174.6
[M+CH3COO]- 255.232951 191.6
[M+Na-2H]- 217.193766 155.9
[M]+ 196.21855142 157.3
[M]- 196.21964858 157.3
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