CID 522550

5-methyl-1-undecene

Structural Information

Molecular Formula
C12H24
SMILES
CCCCCCC(C)CCC=C
InChI
InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3
InChIKey
HNWYNXVFBLSLQE-UHFFFAOYSA-N
Compound name
5-methylundec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

168.1878 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 145.0
[M+Na]+ 191.177018 149.9
[M-H]- 167.180524 144.4
[M+NH4]+ 186.221623 165.8
[M+K]+ 207.150958 148.0
[M+H-H2O]+ 151.185060 139.9
[M+HCOO]- 213.186001 166.1
[M+CH3COO]- 227.201651 185.5
[M+Na-2H]- 189.162466 147.8
[M]+ 168.18725142 147.3
[M]- 168.18834858 147.3
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