CID 60457

110599-10-5

Structural Information

Molecular Formula
C16H18O4
SMILES
CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCO
InChI
InChI=1S/C16H18O4/c1-11(16(18)20-8-7-17)12-3-4-14-10-15(19-2)6-5-13(14)9-12/h3-6,9-11,17H,7-8H2,1-2H3
InChIKey
NYYKRAQUHNVACN-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-(6-methoxynaphthalen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

274.1205 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 162.4
[M+Na]+ 297.10972 169.0
[M-H]- 273.11322 165.4
[M+NH4]+ 292.15432 179.0
[M+K]+ 313.08366 166.6
[M+H-H2O]+ 257.11776 155.6
[M+HCOO]- 319.11870 181.9
[M+CH3COO]- 333.13435 198.0
[M+Na-2H]- 295.09517 165.8
[M]+ 274.11995 166.2
[M]- 274.12105 166.2
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

patents stripe