CID 60458

110599-11-6

Structural Information

Molecular Formula
C18H22O5
SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCOCCO
InChI
InChI=1S/C18H22O5/c1-13(18(20)23-10-9-22-8-7-19)14-3-4-16-12-17(21-2)6-5-15(16)11-14/h3-6,11-13,19H,7-10H2,1-2H3
InChIKey
QGUVTSMJXSPZID-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14673 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 174.0
[M+Na]+ 341.13595 185.3
[M+NH4]+ 336.18055 180.3
[M+K]+ 357.10989 179.4
[M-H]- 317.13945 174.7
[M+Na-2H]- 339.12140 177.9
[M]+ 318.14618 175.6
[M]- 318.14728 175.6
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.