CID 112015

10154-97-9

Structural Information

Molecular Formula
C13H12O4
SMILES
CC(C(=O)O)OC1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C13H12O4/c1-8(13(15)16)17-12-7-6-11(14)9-4-2-3-5-10(9)12/h2-8,14H,1H3,(H,15,16)
InChIKey
MFSBBXLGJBDALP-UHFFFAOYSA-N
Compound name
2-(4-hydroxynaphthalen-1-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

232.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 148.3
[M+Na]+ 255.062778 155.8
[M-H]- 231.066284 150.5
[M+NH4]+ 250.107383 165.9
[M+K]+ 271.036718 153.2
[M+H-H2O]+ 215.070820 142.5
[M+HCOO]- 277.071761 167.4
[M+CH3COO]- 291.087411 187.3
[M+Na-2H]- 253.048226 153.0
[M]+ 232.07301142 149.3
[M]- 232.07410858 149.3
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