CID 5365957

5-undecene, 7-methyl-, (e)-

Structural Information

Molecular Formula
C12H24
SMILES
CCCC/C=C/C(C)CCCC
InChI
InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h9,11-12H,4-8,10H2,1-3H3/b11-9+
InChIKey
AYGCSJBMFWHHDD-PKNBQFBNSA-N
Compound name
(E)-7-methylundec-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

168.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 145.2
[M+Na]+ 191.177018 150.1
[M-H]- 167.180524 144.7
[M+NH4]+ 186.221623 166.1
[M+K]+ 207.150958 148.3
[M+H-H2O]+ 151.185060 140.2
[M+HCOO]- 213.186001 166.3
[M+CH3COO]- 227.201651 184.8
[M+Na-2H]- 189.162466 148.0
[M]+ 168.18725142 147.4
[M]- 168.18834858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe