CID 3031791

Myristyl salicylate

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-21(23)19-16-13-14-17-20(19)22/h13-14,16-17,22H,2-12,15,18H2,1H3
InChIKey
IFYFNVDTVZKNBZ-UHFFFAOYSA-N
Compound name
tetradecyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1034
Patents

334.2508 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 188.0
[M+Na]+ 357.24002 190.7
[M-H]- 333.24352 188.3
[M+NH4]+ 352.28462 201.1
[M+K]+ 373.21396 186.4
[M+H-H2O]+ 317.24806 180.1
[M+HCOO]- 379.24900 206.8
[M+CH3COO]- 393.26465 211.2
[M+Na-2H]- 355.22547 187.2
[M]+ 334.25025 193.6
[M]- 334.25135 193.6
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