CID 105903

P-tolyl undec-10-enoate

Structural Information

Molecular Formula
C18H26O2
SMILES
CC1=CC=C(C=C1)OC(=O)CCCCCCCCC=C
InChI
InChI=1S/C18H26O2/c1-3-4-5-6-7-8-9-10-11-18(19)20-17-14-12-16(2)13-15-17/h3,12-15H,1,4-11H2,2H3
InChIKey
JBSXTRRQRUQNQG-UHFFFAOYSA-N
Compound name
(4-methylphenyl) undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.19327 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 169.4
[M+Na]+ 297.18249 180.8
[M+NH4]+ 292.22709 176.4
[M+K]+ 313.15643 172.4
[M-H]- 273.18599 170.8
[M+Na-2H]- 295.16794 174.1
[M]+ 274.19272 171.3
[M]- 274.19382 171.3
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

No patent data available for this compound.