CID 90607

3-phenylpropyl salicylate

Structural Information

Molecular Formula
C16H16O3
SMILES
C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2
InChIKey
GMHNYYKDPGWAJR-UHFFFAOYSA-N
Compound name
3-phenylpropyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

43
Patents

256.10995 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.3
[M+Na]+ 279.09917 173.0
[M+NH4]+ 274.14377 167.2
[M+K]+ 295.07311 165.5
[M-H]- 255.10267 163.0
[M+Na-2H]- 277.08462 167.9
[M]+ 256.10940 162.3
[M]- 256.11050 162.3
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