CID 3016728

10441-46-0

Structural Information

Molecular Formula
C12H10O3
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1CC(=O)O
InChI
InChI=1S/C12H10O3/c13-11-4-3-9-5-8(6-12(14)15)1-2-10(9)7-11/h1-5,7,13H,6H2,(H,14,15)
InChIKey
YNECZMXVHIGGSP-UHFFFAOYSA-N
Compound name
2-(6-hydroxynaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

50
Patents

202.06299 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 140.6
[M+Na]+ 225.05221 149.0
[M-H]- 201.05571 142.9
[M+NH4]+ 220.09681 159.6
[M+K]+ 241.02615 145.4
[M+H-H2O]+ 185.06025 135.1
[M+HCOO]- 247.06119 160.9
[M+CH3COO]- 261.07684 181.2
[M+Na-2H]- 223.03766 147.0
[M]+ 202.06244 140.4
[M]- 202.06354 140.4
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

No patent data available for this compound.