CID 53829943

3-(5-hydroxynaphthalen-1-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC(=C2C=CC=C(C2=C1)O)C=CC(=O)O
InChI
InChI=1S/C13H10O3/c14-12-6-2-4-10-9(7-8-13(15)16)3-1-5-11(10)12/h1-8,14H,(H,15,16)
InChIKey
GBTCVVDVYWKQQS-UHFFFAOYSA-N
Compound name
3-(5-hydroxynaphthalen-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.06299 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 144.2
[M+Na]+ 237.05221 152.6
[M-H]- 213.05571 146.4
[M+NH4]+ 232.09681 162.7
[M+K]+ 253.02615 148.1
[M+H-H2O]+ 197.06025 138.6
[M+HCOO]- 259.06119 164.4
[M+CH3COO]- 273.07684 182.7
[M+Na-2H]- 235.03766 150.1
[M]+ 214.06244 143.6
[M]- 214.06354 143.6
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