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 169.3
[M+Na]+ 297.18249 174.1
[M-H]- 273.18599 171.7
[M+NH4]+ 292.22709 185.6
[M+K]+ 313.15643 170.3
[M+H-H2O]+ 257.19053 162.1
[M+HCOO]- 319.19147 190.7
[M+CH3COO]- 333.20712 202.1
[M+Na-2H]- 295.16794 170.7
[M]+ 274.19272 173.6
[M]- 274.19382 173.6
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.