CID 77903

Phenyl laurate

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCCCC(=O)OC1=CC=CC=C1
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-18(19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
InChIKey
ZPORCTAUIXXZAI-UHFFFAOYSA-N
Compound name
phenyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2226
Patents

276.20892 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 171.6
[M+Na]+ 299.19814 175.2
[M-H]- 275.20164 173.5
[M+NH4]+ 294.24274 187.6
[M+K]+ 315.17208 171.9
[M+H-H2O]+ 259.20618 164.0
[M+HCOO]- 321.20712 192.8
[M+CH3COO]- 335.22277 201.8
[M+Na-2H]- 297.18359 173.6
[M]+ 276.20837 176.2
[M]- 276.20947 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe