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]+ 319.154006 174.6
[M+Na]+ 341.135948 180.1
[M-H]- 317.139454 177.1
[M+NH4]+ 336.180553 189.2
[M+K]+ 357.109888 177.9
[M+H-H2O]+ 301.143990 167.1
[M+HCOO]- 363.144931 193.6
[M+CH3COO]- 377.160581 206.0
[M+Na-2H]- 339.121396 177.0
[M]+ 318.14618142 180.5
[M]- 318.14727858 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.