CID 22711094

Methyl 7-(hydroxymethyl)-2-naphthoate

Structural Information

Molecular Formula
C13H12O3
SMILES
COC(=O)C1=CC2=C(C=CC(=C2)CO)C=C1
InChI
InChI=1S/C13H12O3/c1-16-13(15)11-5-4-10-3-2-9(8-14)6-12(10)7-11/h2-7,14H,8H2,1H3
InChIKey
RJPDNALCGZSUGO-UHFFFAOYSA-N
Compound name
methyl 7-(hydroxymethyl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

216.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.5
[M+Na]+ 239.06786 159.3
[M+NH4]+ 234.11246 154.1
[M+K]+ 255.04180 152.7
[M-H]- 215.07136 147.7
[M+Na-2H]- 237.05331 152.1
[M]+ 216.07809 148.1
[M]- 216.07919 148.1
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