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
3
Annotation Hits

3
References

937
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.