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 174.6
[M+Na]+ 341.13595 180.1
[M-H]- 317.13945 177.1
[M+NH4]+ 336.18055 189.2
[M+K]+ 357.10989 177.9
[M+H-H2O]+ 301.14399 167.1
[M+HCOO]- 363.14493 193.6
[M+CH3COO]- 377.16058 206.0
[M+Na-2H]- 339.12140 177.0
[M]+ 318.14618 180.5
[M]- 318.14728 180.5
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.