CID 19261741

Methyl 2-(6-hydroxynaphthalen-2-yl)acetate

Structural Information

Molecular Formula
C13H12O3
SMILES
COC(=O)CC1=CC2=C(C=C1)C=C(C=C2)O
InChI
InChI=1S/C13H12O3/c1-16-13(15)7-9-2-3-11-8-12(14)5-4-10(11)6-9/h2-6,8,14H,7H2,1H3
InChIKey
GCWXJAKNVXRMMS-UHFFFAOYSA-N
Compound name
methyl 2-(6-hydroxynaphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

216.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08592 145.0
[M+Na]+ 239.06786 153.5
[M-H]- 215.07136 148.7
[M+NH4]+ 234.11246 164.3
[M+K]+ 255.04180 150.6
[M+H-H2O]+ 199.07590 139.1
[M+HCOO]- 261.07684 166.6
[M+CH3COO]- 275.09249 186.0
[M+Na-2H]- 237.05331 151.4
[M]+ 216.07809 147.0
[M]- 216.07919 147.0
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