CID 61434

P-tolyl laurate

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C
InChI
InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
InChIKey
GRSHNQARIXQRDQ-UHFFFAOYSA-N
Compound name
(4-methylphenyl) dodecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

111
Patents

290.22458 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 175.5
[M+Na]+ 313.21380 179.6
[M-H]- 289.21730 177.6
[M+NH4]+ 308.25840 191.3
[M+K]+ 329.18774 176.1
[M+H-H2O]+ 273.22184 168.0
[M+HCOO]- 335.22278 196.4
[M+CH3COO]- 349.23843 205.9
[M+Na-2H]- 311.19925 176.3
[M]+ 290.22403 180.9
[M]- 290.22513 180.9
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