CID 131749437

(e)-(6,10-dimethylundeca-1,5,9-trien-2-yl)cyclopropane

Structural Information

Molecular Formula
C16H26
SMILES
CC(=CCC/C(=C/CCC(=C)C1CC1)/C)C
InChI
InChI=1S/C16H26/c1-13(2)7-5-8-14(3)9-6-10-15(4)16-11-12-16/h7,9,16H,4-6,8,10-12H2,1-3H3/b14-9+
InChIKey
KWJSWFXHRJLFSX-NTEUORMPSA-N
Compound name
[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

218.20345 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.210726 154.7
[M+Na]+ 241.192668 160.2
[M-H]- 217.196174 158.2
[M+NH4]+ 236.237273 168.6
[M+K]+ 257.166608 155.9
[M+H-H2O]+ 201.200710 148.2
[M+HCOO]- 263.201651 173.6
[M+CH3COO]- 277.217301 197.0
[M+Na-2H]- 239.178116 154.0
[M]+ 218.20290142 156.8
[M]- 218.20399858 156.8
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