CID 87685

Phenyl undec-10-enoate

Structural Information

Molecular Formula
C17H24O2
SMILES
C=CCCCCCCCCC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C17H24O2/c1-2-3-4-5-6-7-8-12-15-17(18)19-16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKey
RIYUQGWFHCLLDM-UHFFFAOYSA-N
Compound name
phenyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

260.17764 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 165.5
[M+Na]+ 283.166858 169.8
[M-H]- 259.170364 167.6
[M+NH4]+ 278.211463 182.0
[M+K]+ 299.140798 166.2
[M+H-H2O]+ 243.174900 158.2
[M+HCOO]- 305.175841 187.2
[M+CH3COO]- 319.191491 197.9
[M+Na-2H]- 281.152306 168.1
[M]+ 260.17709142 169.1
[M]- 260.17818858 169.1
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